UCSF

ZINC26900230

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 19 No

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) 0.44 0.79 -16.65 2 6 0 74 282.369 3
Mid Mid (pH 6-8) 0.44 2.96 -56.94 3 6 1 76 283.377 3
Mid Mid (pH 6-8) 0.63 1.88 -42.05 2 6 0 82 282.369 3

Activity (Go SEA)

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