UCSF

ZINC01340032

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 27 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) 4.92 12.53 -8.59 0 4 0 38 403.979 5
Mid Mid (pH 6-8) 4.92 12.99 -38.93 1 4 1 39 404.987 5

Activity (Go SEA)

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