UCSF

ZINC36891531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 4.89 8.95 -52.05 1 3 -1 52 246.33 3
Lo Low (pH 4.5-6) 4.89 8.7 -35.8 2 3 0 57 247.338 3

Activity (Go SEA)

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