UCSF

ZINC27770054

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 18 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) 0.57 1.73 -20.09 2 6 0 88 249.27 3
Mid Mid (pH 6-8) 1.02 -0.41 -51.24 1 6 -1 91 248.262 3

Activity (Go SEA)

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