UCSF

ZINC37210151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 1.11 4.28 -98.57 3 4 2 34 257.422 5
Hi High (pH 8-9.5) 1.11 3.29 -33.8 2 4 1 29 256.414 5
Lo Low (pH 4.5-6) 1.11 6.54 -189.49 4 4 3 35 258.43 5

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

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