UCSF

ZINC62523585

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 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) 1.69 5.1 -38.82 2 5 1 55 285.408 8
Mid Mid (pH 6-8) 1.69 4.23 -4.57 1 5 0 51 284.4 8
Mid Mid (pH 6-8) 1.69 6.95 -105.53 3 5 2 57 286.416 8
Lo Low (pH 4.5-6) 1.69 5.41 -42.43 2 5 1 52 285.408 8

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

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