UCSF

ZINC62966977

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.31 5.16 -30.19 1 3 1 25 225.356 4
Hi High (pH 8-9.5) 1.31 3.01 -4.47 0 3 0 24 224.348 4
Mid Mid (pH 6-8) 1.31 5.57 -33.52 1 3 1 25 225.356 4
Mid Mid (pH 6-8) 1.31 7.73 -105.94 2 3 2 26 226.364 4

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

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