UCSF

ZINC19819469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 32 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) 2.79 15.59 -20.35 1 8 0 85 448.914 7
Mid Mid (pH 6-8) 2.79 16.08 -45.7 2 8 1 86 449.922 7

Activity (Go SEA)

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