UCSF

ZINC36876277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 0.20 2.7 -52.9 4 5 1 75 246.29 3
Mid Mid (pH 6-8) 0.20 3.11 -113.73 5 5 2 76 247.298 3

Activity (Go SEA)

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