UCSF

ZINC21647562

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 30 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 11.42 -44.54 2 6 1 68 423.562 5
Mid Mid (pH 6-8) 2.67 9.05 -11.63 1 6 0 67 422.554 5

Activity (Go SEA)

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