UCSF

ZINC16667720

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 29 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) 6.98 15.39 -10.72 1 2 0 29 392.527 4
Mid Mid (pH 6-8) 6.98 15.74 -28.99 2 2 1 30 393.535 4

Activity (Go SEA)

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