UCSF

ZINC44658444

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 0.09 3.74 -52.78 2 5 1 63 243.327 7
Mid Mid (pH 6-8) 0.09 2.47 -9.89 1 5 0 59 242.319 7

Activity (Go SEA)

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