UCSF

ZINC05829142

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 19 Yes

CAS Number: 29548-30-9

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) 5.75 12.11 -5.25 0 2 0 26 264.409 9

Activity (Go SEA)

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