UCSF

ZINC12433036

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) -0.32 0.2 -11.04 1 4 0 62 196.231 0
Mid Mid (pH 6-8) -0.32 0.61 -34.48 2 4 1 64 197.239 0

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

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