UCSF

ZINC06008178

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 21 Yes

CAS Number: 113-59-7

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) 5.43 12.26 -40.32 1 1 1 4 316.877 3

Activity (Go SEA)

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