UCSF

ZINC20528361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 23 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) 3.70 6.88 -4.19 2 2 0 24 320.358 5
Mid Mid (pH 6-8) 3.70 8.17 -37.27 3 2 1 29 321.366 5
Lo Low (pH 4.5-6) 3.70 8.29 -38.82 3 2 1 29 321.366 5

Activity (Go SEA)

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