UCSF

ZINC12739597

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 22 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) 2.08 4.78 -51.49 1 6 -1 87 291.29 1
Hi High (pH 8-9.5) 2.54 4.21 -123.32 0 6 -2 90 290.282 1
Lo Low (pH 4.5-6) 2.08 4.29 -42.54 3 6 1 85 293.306 1

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

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