UCSF

ZINC62821073

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 16 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) 1.94 8.32 -96.91 4 4 2 50 224.352 4
Hi High (pH 8-9.5) 1.94 6.95 -25.52 3 4 1 45 223.344 4
Mid Mid (pH 6-8) 1.94 7.92 -40.85 3 4 1 49 223.344 4

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

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