UCSF

ZINC38808933

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 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) 1.52 4.28 -52.42 3 4 1 49 279.404 5
Hi High (pH 8-9.5) 1.52 6.27 -34.58 3 4 1 49 279.404 5

Activity (Go SEA)

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