UCSF

ZINC24081223

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 38 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) 3.94 10.08 -61.69 0 8 -1 85 520.65 11
Mid Mid (pH 6-8) 3.94 12.42 -79.58 1 8 0 87 521.658 11

Activity (Go SEA)

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