UCSF

ZINC66112153

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 16 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) 1.72 3.85 -34.54 4 4 1 69 211.248 1
Mid Mid (pH 6-8) 1.72 3.79 -8.87 3 4 0 68 210.24 1

Activity (Go SEA)

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