UCSF

ZINC34937952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) 0.84 0.64 -10.42 2 3 0 41 198.188 5
Mid Mid (pH 6-8) 0.84 1.8 -43.33 3 3 1 46 199.196 5

Activity (Go SEA)

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