UCSF

ZINC44678328

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 4.24 11.68 -8.72 0 2 0 18 296.801 3
Lo Low (pH 4.5-6) 4.24 12.18 -24.52 1 2 1 19 297.809 3

Activity (Go SEA)

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