UCSF

ZINC20464092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 33 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) 3.89 10.77 -22.35 1 7 0 82 485.993 7
Mid Mid (pH 6-8) 3.89 11.67 -50.51 2 7 1 84 487.001 7

Activity (Go SEA)

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