UCSF

ZINC34677137

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 23 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) 0.53 -0.14 -43.37 3 7 1 83 325.433 7
Mid Mid (pH 6-8) 0.53 -2.42 -8.3 2 7 0 82 324.425 7

Activity (Go SEA)

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