UCSF

ZINC19510830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 21 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) 2.67 7.4 -104.73 4 3 2 35 291.483 7
Mid Mid (pH 6-8) 2.67 6.94 -131.28 4 3 2 35 291.483 7
Mid Mid (pH 6-8) 2.67 5.02 -48.38 3 3 1 34 290.475 7

Activity (Go SEA)

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