UCSF

ZINC62963288

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.06 2.57 -11.04 1 4 0 59 314.476 4
Mid Mid (pH 6-8) 2.06 3.73 -46.27 2 4 1 64 315.484 4
Lo Low (pH 4.5-6) 2.06 4.62 -112.94 3 4 2 65 316.492 4
Lo Low (pH 4.5-6) 2.06 3.49 -35.27 2 4 1 60 315.484 4

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

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