UCSF

ZINC43460896

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 2.39 2.31 -12.6 4 5 0 88 305.135 1
Mid Mid (pH 6-8) 2.39 3.18 -40.72 3 5 -1 91 304.127 1

Activity (Go SEA)

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