UCSF

ZINC22936368

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 20 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) 2.99 6.4 -44.68 2 3 1 29 275.416 8
Mid Mid (pH 6-8) 2.99 7.42 -34.33 2 3 1 26 275.416 8
Lo Low (pH 4.5-6) 2.99 8.72 -117.06 3 3 2 30 276.424 8

Activity (Go SEA)

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