UCSF

ZINC05819127

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 19 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) -0.33 6.78 -28.68 3 5 0 85 261.256 2
Hi High (pH 8-9.5) -0.33 5.85 -48.59 2 5 -1 81 260.248 2
Lo Low (pH 4.5-6) -0.33 7.28 -68.44 4 5 1 87 262.264 2

Activity (Go SEA)

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