UCSF

ZINC12576369

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 22 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) 4.83 10.85 -10.55 1 3 0 42 286.334 3
Mid Mid (pH 6-8) 4.83 11.12 -31.17 2 3 1 43 287.342 3

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

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