UCSF

ZINC45086055

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 15 No

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) 0.65 1.12 -46.85 2 4 1 59 236.357 3
Mid Mid (pH 6-8) 0.65 -0.35 -10.54 1 4 0 58 235.349 3

Activity (Go SEA)

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