UCSF

ZINC19386617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 10 No

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) -0.56 2.15 -38.96 4 3 1 56 141.194 2
Mid Mid (pH 6-8) -0.56 1.37 -46.85 4 3 1 53 141.194 2
Mid Mid (pH 6-8) -0.56 1.57 -4.71 3 3 0 51 140.186 2

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

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