UCSF

ZINC34668601

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.73 1.25 -44.6 2 7 1 72 337.444 6
Mid Mid (pH 6-8) 0.73 3.53 -92.7 3 7 2 73 338.452 6

Activity (Go SEA)

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