UCSF

ZINC44974915

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 20 Yes

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) 1.03 4.16 -35.33 2 4 1 41 278.42 7
Mid Mid (pH 6-8) 1.03 4.91 -79.17 3 4 2 42 279.428 7
Mid Mid (pH 6-8) 1.03 7.3 -36.6 2 4 1 45 278.42 7

Activity (Go SEA)

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