UCSF

ZINC66263216

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 40 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) 2.40 13.5 -56.94 1 14 1 177 551.536 10
Mid Mid (pH 6-8) 2.40 11.23 -27.77 0 14 0 176 550.528 10

Activity (Go SEA)

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