UCSF

ZINC40554286

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) 2.29 9.19 -48.71 1 3 1 41 286.424 3
Hi High (pH 8-9.5) 2.29 7.25 -14.28 0 3 0 40 285.416 3

Activity (Go SEA)

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