UCSF

ZINC60537936

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2011 19 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) 0.59 1.64 -39.2 2 6 0 88 259.265 4
Hi High (pH 8-9.5) 0.59 1.18 -50.43 1 6 -1 87 258.257 4
Mid Mid (pH 6-8) 0.59 0.18 -11.3 2 6 0 84 259.265 4

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

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