UCSF

ZINC19371410

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 29 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) 4.35 10.7 -66.49 1 5 0 61 410.901 5
Hi High (pH 8-9.5) 4.35 8.31 -41.07 0 5 -1 60 409.893 5
Mid Mid (pH 6-8) 4.35 9.85 -51.73 2 5 1 58 411.909 5
Mid Mid (pH 6-8) 4.35 10.64 -67.68 1 5 0 61 410.901 5
Mid Mid (pH 6-8) 4.35 9.92 -56.48 2 5 1 58 411.909 5
Mid Mid (pH 6-8) 4.35 7.35 -10.03 1 5 0 57 410.901 5

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

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