UCSF

ZINC11616871

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 18 Yes

CAS Number: 2627-69-2

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) -2.50 -12.95 -14.48 7 9 0 157 258.234 3
Mid Mid (pH 6-8) -2.50 -12.65 -35.71 8 9 1 158 259.242 3

Activity (Go SEA)

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