UCSF

ZINC62605613

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 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) 1.62 5.3 -29.54 2 4 1 40 244.318 3
Hi High (pH 8-9.5) 1.62 4.87 -10.03 1 4 0 39 243.31 3
Lo Low (pH 4.5-6) 1.62 6.21 -53.01 2 4 1 44 244.318 3

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

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