UCSF

ZINC42457267

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.15 3.53 -43.76 4 4 1 60 248.35 4
Mid Mid (pH 6-8) 0.15 3.22 -5.19 3 4 0 58 247.342 4

Activity (Go SEA)

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