UCSF

ZINC22930719

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.89 9.65 -44.97 1 4 1 26 321.448 4
Mid Mid (pH 6-8) 2.89 9.54 -41.46 1 4 1 26 321.448 4
Mid Mid (pH 6-8) 2.89 7.3 -9.2 0 4 0 24 320.44 4
Lo Low (pH 4.5-6) 2.89 11.73 -88.16 2 4 2 27 322.456 4

Activity (Go SEA)

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