UCSF

ZINC61485429

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 2.18 7.68 -39.98 2 4 1 46 249.382 7
Hi High (pH 8-9.5) 2.18 6.32 -6.34 1 4 0 41 248.374 7
Mid Mid (pH 6-8) 2.18 7.8 -107.93 3 4 2 47 250.39 7
Lo Low (pH 4.5-6) 2.18 7.79 -95.41 3 4 2 47 250.39 7

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

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