UCSF

ZINC62952958

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 1.24 6.35 -39.34 3 4 1 49 291.415 4
Hi High (pH 8-9.5) 1.24 4.1 -4.69 2 4 0 48 290.407 4
Mid Mid (pH 6-8) 1.24 6.77 -142.04 4 4 2 51 292.423 4

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

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