UCSF

ZINC55429512

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 21 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) 1.97 8.57 -52.23 2 5 0 57 287.387 4
Hi High (pH 8-9.5) 2.15 7.68 -9.07 1 5 0 53 286.379 3
Mid Mid (pH 6-8) 2.15 9.9 -44.66 2 5 1 55 287.387 3
Mid Mid (pH 6-8) 2.15 8.32 -48.7 3 5 0 58 288.395 3

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

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