UCSF

ZINC49573375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 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) 1.95 8.61 -27.69 1 5 1 48 274.344 7
Hi High (pH 8-9.5) 1.95 7.84 -15.79 0 5 0 47 273.336 7
Mid Mid (pH 6-8) 1.95 10.45 -98.53 2 5 2 49 275.352 7
Mid Mid (pH 6-8) 1.95 9.42 -39.37 1 5 1 48 274.344 7

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

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