UCSF

ZINC54821791

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 19 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) 0.70 5.49 -40.08 3 6 1 72 257.321 4
Hi High (pH 8-9.5) 0.70 5.07 -19.24 2 6 0 71 256.313 4
Mid Mid (pH 6-8) 0.70 6.79 -111.05 4 6 2 77 258.329 4
Mid Mid (pH 6-8) 0.70 6.34 -47.32 3 6 1 75 257.321 4

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

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