UCSF

ZINC21216670

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 4.37 6.51 -49.28 1 6 -1 87 433.868 6
Mid Mid (pH 6-8) 4.37 6.52 -15.35 2 6 0 85 434.876 6

Activity (Go SEA)

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