UCSF

ZINC34514743

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 1.65 5.9 -44.51 5 2 1 54 241.358 5
Mid Mid (pH 6-8) 1.65 6.2 -142.89 6 2 2 55 242.366 5

Activity (Go SEA)

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