UCSF

ZINC05138480

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 22 No

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) -4.57 1.51 -79.87 5 9 -1 166 334.374 10
Hi High (pH 8-9.5) -4.57 0.95 -93.04 4 9 -2 164 333.366 10

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

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