UCSF

ZINC62951980

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 3.14 6.61 -42.83 3 2 1 31 293.5 3
Hi High (pH 8-9.5) 3.14 6.94 -1.3 2 2 0 29 292.492 3
Mid Mid (pH 6-8) 3.14 8.64 -31.73 3 2 1 30 293.5 3
Mid Mid (pH 6-8) 3.14 8.92 -115.04 4 2 2 32 294.508 3

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

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