UCSF

ZINC53933276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 19 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) 1.62 4.33 -2.81 1 3 0 24 262.397 5
Mid Mid (pH 6-8) 1.62 5.45 -41.53 2 3 1 29 263.405 5
Lo Low (pH 4.5-6) 1.62 6.52 -33.99 2 3 1 26 263.405 5
Lo Low (pH 4.5-6) 1.62 7.65 -116.37 3 3 2 30 264.413 5

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

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