UCSF

ZINC27213375

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 25 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) 2.55 1.1 -16.36 3 7 0 108 399.881 5
Mid Mid (pH 6-8) 2.55 1.18 -46.79 2 7 -1 110 398.873 5

Activity (Go SEA)

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