UCSF

ZINC58023653

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 28 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) 2.96 7.34 -15.3 1 6 0 79 403.548 9
Lo Low (pH 4.5-6) 2.96 7.79 -46.56 2 6 1 81 404.556 9

Activity (Go SEA)

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