UCSF

ZINC19842392

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 5.55 13.63 -37.42 1 2 1 8 363.569 5
Mid Mid (pH 6-8) 5.55 13.78 -37.14 1 2 1 8 363.569 5
Mid Mid (pH 6-8) 5.55 11.4 -2.78 0 2 0 6 362.561 5

Activity (Go SEA)

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