UCSF

ZINC37095836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 3.56 7.36 -120.88 4 2 2 32 291.266 6
Mid Mid (pH 6-8) 3.56 7.42 -30.49 3 2 1 30 290.258 6
Mid Mid (pH 6-8) 3.56 6.67 -42.66 3 2 1 31 290.258 6

Activity (Go SEA)

Rings

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