UCSF

ZINC53932245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 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) 2.53 6.33 -2.99 1 3 0 24 290.451 7
Mid Mid (pH 6-8) 2.53 7.37 -40.87 2 3 1 29 291.459 7
Mid Mid (pH 6-8) 2.53 8.62 -36.03 2 3 1 26 291.459 7
Lo Low (pH 4.5-6) 2.53 9.63 -119.16 3 3 2 30 292.467 7

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

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