UCSF

ZINC34663788

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 2.14 7.75 -81.89 3 3 2 24 253.365 3
Mid Mid (pH 6-8) 2.14 5.41 -43.2 2 3 1 23 252.357 3

Activity (Go SEA)

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