UCSF

ZINC39696657

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 31 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) 0.93 4.63 -57.42 3 7 1 78 429.585 5
Mid Mid (pH 6-8) 0.93 7.05 -110.11 4 7 2 80 430.593 5

Activity (Go SEA)

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