UCSF

ZINC00078681

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 3.22 11.83 -27.69 2 3 1 38 312.396 3
Hi High (pH 8-9.5) 3.22 11.28 -46.28 0 3 -1 39 310.38 3
Hi High (pH 8-9.5) 3.22 11.79 -8.93 1 3 0 40 311.388 3
Hi High (pH 8-9.5) 3.22 11.79 -8.85 1 3 0 40 311.388 3
Mid Mid (pH 6-8) 3.22 11.77 -8.93 1 3 0 37 311.388 3
Mid Mid (pH 6-8) 3.22 11.88 -27.29 2 3 1 38 312.396 3

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

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