UCSF

ZINC71555625

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.40 1.14 -14.99 2 8 0 104 394.478 2
Mid Mid (pH 6-8) 2.40 3.57 -57.73 3 8 1 105 395.486 2
Mid Mid (pH 6-8) 1.47 0.66 -45.37 1 8 -1 103 393.47 3
Lo Low (pH 4.5-6) 1.47 3.12 -58.86 2 8 0 104 394.478 3

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

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