UCSF

ZINC61498118

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 20 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) 1.97 2.73 -41.42 2 5 1 68 269.328 4
Hi High (pH 8-9.5) 1.97 1.38 -11.56 1 5 0 64 268.32 4
Lo Low (pH 4.5-6) 1.97 3.18 -86.48 3 5 2 70 270.336 4

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

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