UCSF

ZINC66074469

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 29 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) 1.50 4.45 -118.86 2 9 -1 117 402.406 4
Hi High (pH 8-9.5) 1.50 4.72 -143.67 1 9 -2 116 401.398 4
Mid Mid (pH 6-8) 1.50 6.18 -167.64 3 9 0 122 403.414 4
Lo Low (pH 4.5-6) 0.47 7.82 -80.74 2 9 0 115 403.414 4

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

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