UCSF

ZINC67973909

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 31 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) 3.79 13.36 -39.15 2 5 1 51 410.545 6
Mid Mid (pH 6-8) 3.79 12.85 -10.73 1 5 0 50 409.537 6
Mid Mid (pH 6-8) 3.79 15.07 -51.4 2 5 1 51 410.545 6
Lo Low (pH 4.5-6) 3.79 15.41 -115.5 3 5 2 52 411.553 6

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

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