UCSF

ZINC44726420

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 0.78 5.06 -46.14 0 6 -1 62 279.345 7
Mid Mid (pH 6-8) 0.05 5.1 -11.05 1 6 0 65 280.353 7

Activity (Go SEA)

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