UCSF

ZINC67755126

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 24 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) 4.21 10.5 -12.08 0 5 0 51 322.412 4
Mid Mid (pH 6-8) 4.21 11.11 -27.51 1 5 1 52 323.42 4
Lo Low (pH 4.5-6) 4.21 11.41 -75.05 2 5 2 54 324.428 4
Lo Low (pH 4.5-6) 4.21 11.44 -74.98 2 5 2 54 324.428 4

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

No pre-computed analogs available. Try a structural similarity search.