UCSF

ZINC49238129

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 2.47 3.35 -15.33 4 6 0 100 310.404 4
Mid Mid (pH 6-8) 1.54 2.66 -46.74 3 6 -1 99 309.396 5
Lo Low (pH 4.5-6) 2.47 3.16 -53.56 5 6 1 102 311.412 4

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

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