UCSF

ZINC22971826

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.84 7.43 -11.5 1 4 0 55 303.365 4
Mid Mid (pH 6-8) 2.91 5.91 -8.19 1 4 0 58 303.365 4
Lo Low (pH 4.5-6) 2.84 7.96 -51.32 2 4 1 56 304.373 4
Lo Low (pH 4.5-6) 2.91 6.44 -91.05 3 4 2 61 305.381 4

Activity (Go SEA)

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