UCSF

ZINC25525467

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 2.34 2 -21.77 3 6 0 106 378.475 5
Hi High (pH 8-9.5) 2.34 2.68 -47.25 2 6 -1 104 377.467 5
Hi High (pH 8-9.5) 2.34 2.75 -95.55 1 6 -2 106 376.459 5
Mid Mid (pH 6-8) 2.34 2.07 -55 2 6 -1 108 377.467 5

Activity (Go SEA)

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