UCSF

ZINC65734241

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 18 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) -2.14 -10.24 -17.31 8 9 0 156 260.25 3
Hi High (pH 8-9.5) -2.14 -11.18 -16.6 6 9 0 152 258.234 3
Hi High (pH 8-9.5) -2.14 -11.22 -18.01 6 9 0 152 258.234 3
Mid Mid (pH 6-8) -2.14 -11.27 -21.59 7 9 0 154 259.242 3

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

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