UCSF

ZINC48949634

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 21 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) 1.87 7.67 -37.83 2 5 1 47 295.451 6
Hi High (pH 8-9.5) 1.87 6.44 -4.01 1 5 0 42 294.443 6
Hi High (pH 8-9.5) 1.87 6.6 -24.97 2 5 1 44 295.451 6
Mid Mid (pH 6-8) 1.87 7.81 -93.43 3 5 2 48 296.459 6

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

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