UCSF

ZINC33820390

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 22 Yes

CAS Number: 263399-35-5

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) 4.81 8.5 -46.1 2 4 -1 81 313.458 15
Lo Low (pH 4.5-6) 4.81 6.54 -7.71 3 4 0 78 314.466 15

Activity (Go SEA)

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