UCSF

ZINC44124997

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 1.45 4.54 -31.27 2 4 1 37 279.404 4
Hi High (pH 8-9.5) 1.45 2.44 -5.1 1 4 0 36 278.396 4
Mid Mid (pH 6-8) 1.45 6.6 -104.33 3 4 2 38 280.412 4

Activity (Go SEA)

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