UCSF

ZINC38274813

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 23 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) 4.19 10.8 -5.91 0 3 0 30 311.425 8
Mid Mid (pH 6-8) 4.19 12.84 -37.67 1 3 1 31 312.433 8

Activity (Go SEA)

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