UCSF

ZINC00897010

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 17 Yes

CAS Number: 109922-46-5

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) 2.47 0.23 -37.51 2 2 1 20 227.331 0

Activity (Go SEA)

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