UCSF

ZINC19430204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 2.45 6.82 -110.99 4 3 2 35 283.504 4
Mid Mid (pH 6-8) 2.45 5.82 -117.12 4 3 2 35 283.504 4
Mid Mid (pH 6-8) 2.45 4.35 -42.33 3 3 1 34 282.496 4

Activity (Go SEA)

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