UCSF

ZINC37078687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) -0.52 4.34 -41.8 3 4 1 49 239.339 6
Mid Mid (pH 6-8) -0.52 4.65 -132.45 4 4 2 51 240.347 6
Mid Mid (pH 6-8) -0.52 2.67 -46.26 3 4 1 49 239.339 6

Activity (Go SEA)

Rings

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