UCSF

ZINC21784879

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 3.65 5.85 -43.52 1 5 -1 78 350.37 4
Mid Mid (pH 6-8) 3.19 6.95 -14.04 2 5 0 75 351.378 4
Mid Mid (pH 6-8) 3.19 6.4 -20.43 2 5 0 75 351.378 4

Activity (Go SEA)

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