UCSF

ZINC13551319

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 No

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Annotations

Vendors

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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) -1.27 0.38 -65.31 5 10 -1 181 443.432 2
Hi High (pH 8-9.5) -1.27 1.38 -121.27 4 10 -2 184 442.424 2
Mid Mid (pH 6-8) -0.24 1.52 -41.14 8 10 1 183 445.448 2
Mid Mid (pH 6-8) -0.69 -0.68 -53.03 8 10 1 183 445.448 2
Mid Mid (pH 6-8) -1.27 1.65 -67.18 6 10 0 182 444.44 2

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

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