UCSF

ZINC37998749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 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) -1.10 0 -48.66 4 5 1 85 195.246 5
Mid Mid (pH 6-8) -1.10 -1.36 -11.56 3 5 0 81 194.238 5

Activity (Go SEA)

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