UCSF

ZINC06570727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 14 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) 0.56 2.79 -36.55 2 3 1 38 193.27 2
Lo Low (pH 4.5-6) 0.56 3.09 -96.25 3 3 2 39 194.278 2

Activity (Go SEA)

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