UCSF

ZINC13063025

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2008 38 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) 5.41 15.31 -23.83 0 9 0 104 514.582 7
Mid Mid (pH 6-8) 1.50 16.73 -26.27 1 9 1 103 515.59 8

Activity (Go SEA)

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