UCSF

ZINC06467836

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 19 Yes

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) 2.49 6.47 -11.58 0 4 0 52 272.329 2
Mid Mid (pH 6-8) 2.49 6.9 -32.62 1 4 1 53 273.337 2

Activity (Go SEA)

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