UCSF

ZINC58825232

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.64 4.11 -13.05 3 6 0 90 177.167 1
Mid Mid (pH 6-8) -0.64 4.61 -38.86 4 6 1 91 178.175 1
Mid Mid (pH 6-8) -0.18 2.01 -41.81 2 6 -1 93 176.159 1
Mid Mid (pH 6-8) -0.18 2.52 -46.85 3 6 0 94 177.167 1

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

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