UCSF

ZINC51364297

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 35 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) 0.79 15.22 -65 1 8 1 76 485.58 7
Mid Mid (pH 6-8) 0.79 13 -22.45 0 8 0 75 484.572 7

Activity (Go SEA)

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