UCSF

ZINC23282695

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 14 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) 0.74 3.49 -46.22 3 3 1 46 215.342 2
Hi High (pH 8-9.5) 0.74 3.25 -10.16 2 3 0 41 214.334 2

Activity (Go SEA)

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