UCSF

ZINC19885292

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 1.90 5.77 -42.28 2 3 1 43 186.275 5
Mid Mid (pH 6-8) 1.90 4.53 -4.72 1 3 0 38 185.267 5

Activity (Go SEA)

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