UCSF

ZINC05162287

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 14 Yes

CAS Number: 2633-06-9

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) 3.08 7.58 -5.34 0 1 0 13 181.238 2
Lo Low (pH 4.5-6) 3.08 7.85 -34.09 1 1 1 14 182.246 2

Activity (Go SEA)

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