UCSF

ZINC34612885

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 Yes

CAS Number: 84-17-3

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) 4.78 5.92 -6.23 2 2 0 40 266.34 5

Activity (Go SEA)

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