UCSF

ZINC31977362

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.27 1.79 -43.6 3 5 1 60 247.322 2
Mid Mid (pH 6-8) 1.27 -0.59 -9.63 2 5 0 59 246.314 2

Activity (Go SEA)

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