UCSF

ZINC62578074

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 28 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) 2.11 6.2 -20.02 1 8 0 90 389.452 8
Hi High (pH 8-9.5) 2.29 4.63 -60.44 0 8 -1 96 388.444 8
Hi High (pH 8-9.5) 2.29 5.38 -63.38 0 8 -1 96 388.444 8
Mid Mid (pH 6-8) 2.11 8.47 -47.88 2 8 1 91 390.46 8

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

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