UCSF

ZINC22032658

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 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) 3.92 11.29 -41.7 1 4 1 26 369.92 5
Mid Mid (pH 6-8) 3.92 11.25 -46.78 1 4 1 26 369.92 5
Mid Mid (pH 6-8) 3.92 8.98 -8.04 0 4 0 24 368.912 5
Lo Low (pH 4.5-6) 3.92 11.68 -93.83 2 4 2 27 370.928 5

Activity (Go SEA)

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