UCSF

ZINC05022065

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 17 No

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) 3.61 5.29 -8.35 1 3 0 50 293.116 3
Hi High (pH 8-9.5) 3.61 6.08 -43.39 0 3 -1 53 292.108 3

Activity (Go SEA)

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