UCSF

ZINC49942502

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 36 No

Popular Name: 5-O-(2,3-O-(6-Amino-6-desoxyheptapyranosyliden)-beta-D-talopyranosyl)-2-desoxy-N'-methyl-D-streptamin; AI3-29796; AI3-50155; Antihelmycin; BRN 6755837; C20H37N3O13; D-Streptamine, O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene(1-2-3)-O-beta-D-t 5-O-(2,3-O-(6-Amino-6-desoxyhept…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.41 -18.91 -172.95 16 16 3 280 530.548 6 ↓
Hi High (pH 8-9.5) -5.41 -20.23 -22.92 13 16 0 272 527.524 6 ↓
Hi High (pH 8-9.5) -5.41 -18.95 -47.56 14 16 1 277 528.532 6 ↓
Hi High (pH 8-9.5) -5.41 -19.85 -66.79 14 16 1 274 528.532 6 ↓
Mid Mid (pH 6-8) -5.41 -18.63 -123.23 15 16 2 278 529.54 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )