UCSF

ZINC37177112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.16 5.84 -57.81 2 6 1 75 294.375 7
Hi High (pH 8-9.5) 2.16 4.74 -8.16 1 6 0 70 293.367 7
Lo Low (pH 4.5-6) 2.16 8.11 -129.58 3 6 2 76 295.383 7

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

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