UCSF

ZINC37224065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.72 6.09 -3.41 1 3 0 24 290.451 8
Mid Mid (pH 6-8) 2.72 8.36 -36.84 2 3 1 26 291.459 8
Lo Low (pH 4.5-6) 2.72 9.58 -107.38 3 3 2 30 292.467 8

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

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