UCSF

ZINC19398727

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 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) 0.39 2.04 -42.9 3 4 1 49 212.317 4
Mid Mid (pH 6-8) 0.39 2.58 -38.98 3 4 1 46 212.317 4
Lo Low (pH 4.5-6) 0.39 3.97 -110.48 4 4 2 50 213.325 4

Activity (Go SEA)

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