UCSF

ZINC62934316

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.00 10.37 -87.89 2 5 1 72 276.36 4
Hi High (pH 8-9.5) 2.00 9.22 -49.51 0 5 -1 69 274.344 4
Mid Mid (pH 6-8) 2.00 9.93 -37.88 1 5 0 70 275.352 4

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

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