UCSF

ZINC23493255

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 27 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) 2.49 3.37 -16.33 2 7 0 82 369.421 5
Hi High (pH 8-9.5) 2.49 3.92 -62.85 1 7 -1 85 368.413 5
Mid Mid (pH 6-8) 2.49 6.15 -77.01 2 7 0 86 369.421 5

Activity (Go SEA)

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