UCSF

ZINC62786755

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 2.52 7.97 -94.15 4 4 2 48 304.825 3
Mid Mid (pH 6-8) 2.52 7.61 -49.17 3 4 1 47 303.817 3

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

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