UCSF

ZINC19864502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 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) 0.57 1.78 -44.04 3 6 1 80 234.283 5
Hi High (pH 8-9.5) 0.57 0.29 -7.39 2 6 0 76 233.275 5

Activity (Go SEA)

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