UCSF

ZINC13523581

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 21 Yes

Popular Name: 4-Amino-7-beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile; 7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-beta-D-arabinofuranosyl-; Ara-toyocamycin; BRN 4207160; LS-139544 4-Amino-7-beta-D-arabinofuranosy…

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Download: MOL2 SDF SMILES Flexibase

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) -1.25 -4.29 -12.64 5 9 0 150 291.267 2 ↓
Lo Low (pH 4.5-6) -1.25 -4.02 -39.08 6 9 1 152 292.275 2 ↓
Lo Low (pH 4.5-6) -1.25 -8.4 -37.2 6 9 1 152 292.275 2 ↓

Activity (Go SEA)

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