UCSF

ZINC22007352

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 20 Yes

CAS Number: 3506-09-0

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) 3.09 6.38 -41.13 3 3 1 46 274.384 7
Hi High (pH 8-9.5) 3.09 5.1 -5.56 2 3 0 41 273.376 7

Activity (Go SEA)

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