UCSF

ZINC44723821

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 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) 1.84 3.97 -5.95 1 4 0 48 217.309 8
Mid Mid (pH 6-8) 1.84 5.17 -36.62 2 4 1 52 218.317 8

Activity (Go SEA)

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