UCSF

ZINC27315323

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 30 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) 6.27 14.49 -91.21 3 3 2 31 393.534 5
Hi High (pH 8-9.5) 6.27 11.97 -26.84 2 3 1 29 392.526 5
Hi High (pH 8-9.5) 6.27 14.19 -53.13 2 3 1 29 392.526 5

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

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