UCSF

ZINC22931741

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 2.35 7.89 -50.22 1 5 1 39 370.517 9
Hi High (pH 8-9.5) 2.35 5.7 -7.82 0 5 0 38 369.509 9
Mid Mid (pH 6-8) 2.35 8.05 -39.59 1 5 1 39 370.517 9
Lo Low (pH 4.5-6) 2.35 8.51 -106.34 2 5 2 40 371.525 9

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

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