UCSF

ZINC36126285

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 0.25 4.92 -43.91 1 5 1 41 291.419 4
Hi High (pH 8-9.5) 0.25 2.45 -9.54 0 5 0 40 290.411 4
Lo Low (pH 4.5-6) 0.25 6.88 -114.23 2 5 2 42 292.427 4

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

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