UCSF

ZINC62545657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 3.16 5.38 -16.2 2 7 0 108 367.386 3
Ref Reference (pH 7) 3.16 5.11 -19.5 2 7 0 108 367.386 3
Hi High (pH 8-9.5) 3.44 2.02 -97.92 0 7 -2 110 365.37 4
Mid Mid (pH 6-8) 2.98 4.64 -47.13 1 7 -1 107 366.378 4

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

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