UCSF

ZINC05162457

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 13 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) -1.55 2.4 -37.38 4 4 0 80 180.207 4
Hi High (pH 8-9.5) -1.55 1.96 -40.65 3 4 -1 78 179.199 4

Activity (Go SEA)

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