UCSF

ZINC58184397

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 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) 1.62 4.15 -11.73 0 6 0 64 316.386 5
Mid Mid (pH 6-8) 1.62 6.8 -43.61 1 6 1 65 317.394 5

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

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