UCSF

ZINC69237214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 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) 2.79 7.84 -31.33 3 3 1 43 242.346 4
Mid Mid (pH 6-8) 2.79 7.38 -4.79 2 3 0 42 241.338 4
Lo Low (pH 4.5-6) 2.79 7.46 -86.3 4 3 2 45 243.354 4

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

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