UCSF

ZINC62945337

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 19 No

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) 1.85 4.94 -42.28 4 5 1 68 276.389 3
Mid Mid (pH 6-8) 1.85 2.87 -10.34 3 5 0 67 275.381 3
Lo Low (pH 4.5-6) 1.85 4.76 -124.24 5 5 2 70 277.397 3

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

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