UCSF

ZINC22037484

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 2.90 7.95 -39.06 3 5 1 55 342.463 9
Mid Mid (pH 6-8) 2.90 6.52 -38.89 3 5 1 58 342.463 9
Mid Mid (pH 6-8) 2.90 5.43 -7.88 2 5 0 54 341.455 9

Activity (Go SEA)

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