UCSF

ZINC71528151

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 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) 3.27 7.86 -13.94 1 6 0 69 384.745 4
Hi High (pH 8-9.5) 3.34 6.19 -46.67 0 6 -1 75 383.737 4
Lo Low (pH 4.5-6) 3.27 8.3 -30.59 2 6 1 70 385.753 4

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

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