UCSF

ZINC49556810

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 2.09 3.41 -46.29 3 8 0 132 328.375 3
Hi High (pH 8-9.5) 1.17 2.81 -130.54 1 8 -2 130 326.359 4
Mid Mid (pH 6-8) 2.09 3.35 -64.74 2 8 -1 131 327.367 3

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

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