UCSF

ZINC59608152

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 15 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) -1.59 1.58 -47.28 3 5 1 68 212.273 2
Hi High (pH 8-9.5) -1.59 1.29 -16.5 2 5 0 67 211.265 2

Activity (Go SEA)

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