UCSF

ZINC37276122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 1.61 3.18 -14.65 1 5 0 62 317.48 6
Mid Mid (pH 6-8) 1.61 4.38 -56.9 2 5 1 67 318.488 6
Lo Low (pH 4.5-6) 1.61 4.84 -117.99 3 5 2 68 319.496 6

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

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