UCSF

ZINC44341857

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 18 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) 1.20 5.43 -49.78 3 4 1 67 245.302 5
Mid Mid (pH 6-8) 1.20 5.12 -8.5 2 4 0 65 244.294 5
Lo Low (pH 4.5-6) 1.20 5.86 -95.18 4 4 2 68 246.31 5

Activity (Go SEA)

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