UCSF

ZINC04890507

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 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) 0.49 1.86 -6.86 1 3 0 41 188.23 1
Lo Low (pH 4.5-6) 0.49 2.68 -30.45 2 3 1 43 189.238 1

Activity (Go SEA)

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