UCSF

ZINC39985785

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 17 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) 2.30 5.87 -34.14 1 3 1 17 255.769 3
Mid Mid (pH 6-8) 2.30 5.77 -32.37 1 3 1 17 255.769 3
Mid Mid (pH 6-8) 2.30 3.51 -3.6 0 3 0 16 254.761 3

Activity (Go SEA)

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