UCSF

ZINC32157987

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 1.37 3.42 -35.9 2 5 1 48 295.403 9
Hi High (pH 8-9.5) 1.37 1.94 -5.49 1 5 0 43 294.395 9
Mid Mid (pH 6-8) 1.37 5.84 -102.32 3 5 2 49 296.411 9

Activity (Go SEA)

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