UCSF

ZINC40390016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 22 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) 4.90 11.04 -9.68 0 3 0 27 294.398 5
Lo Low (pH 4.5-6) 4.90 11.42 -26.3 1 3 1 28 295.406 5

Activity (Go SEA)

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