UCSF

ZINC66171810

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 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) 5.51 10.7 -37.47 2 2 1 26 318.868 7
Mid Mid (pH 6-8) 5.51 9.32 -4.07 1 2 0 21 317.86 7

Activity (Go SEA)

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