UCSF

ZINC19476448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.05 3.14 -35.6 4 5 1 77 235.311 2
Mid Mid (pH 6-8) 0.05 4.24 -8.67 3 5 0 75 234.303 2

Activity (Go SEA)

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