UCSF

ZINC22934046

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 3.83 8.89 -39.23 2 3 1 23 370.586 7
Mid Mid (pH 6-8) 3.83 10.82 -38.43 2 3 1 20 370.586 7
Lo Low (pH 4.5-6) 3.83 11.12 -112.81 3 3 2 24 371.594 7
Lo Low (pH 4.5-6) 3.83 10.91 -115.93 3 3 2 24 371.594 7

Activity (Go SEA)

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