UCSF

ZINC44608726

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 22 Yes

CAS Number: 330796-62-8

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) 6.65 15.08 -96.46 0 2 0 40 303.466 14
Lo Low (pH 4.5-6) 6.65 13.1 -5.64 1 2 0 37 304.474 14

Activity (Go SEA)

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