UCSF

ZINC21630416

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 2.41 4.98 -48.35 2 7 1 68 346.455 8
Hi High (pH 8-9.5) 2.41 2.67 -9.09 1 7 0 67 345.447 8
Mid Mid (pH 6-8) 2.41 4.98 -41.61 2 7 1 68 346.455 8

Activity (Go SEA)

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