UCSF

ZINC40395186

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 20 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) 2.34 4.87 -48.95 2 4 1 54 291.396 3
Hi High (pH 8-9.5) 2.34 3.42 -9.13 1 4 0 49 290.388 3

Activity (Go SEA)

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