UCSF

ZINC39371590

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 22 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) 4.12 10.35 -34.79 1 2 1 8 339.956 4
Mid Mid (pH 6-8) 4.12 12.87 -108.4 2 2 2 9 340.964 4

Activity (Go SEA)

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