UCSF

ZINC39369884

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 12 No

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) 3.41 5.7 -2.71 0 1 0 9 182.288 2
Mid Mid (pH 6-8) 3.41 6.24 -44.28 0 1 -1 9 181.28 2

Activity (Go SEA)

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