UCSF

ZINC09828261

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 24 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) 2.48 -2.34 -12.88 1 5 0 66 348.399 3
Hi High (pH 8-9.5) 2.48 -1.76 -37.6 0 5 -1 68 347.391 3

Activity (Go SEA)

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