UCSF

ZINC65314368

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 33 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) 3.13 13.87 -50.42 1 8 1 72 462.603 5
Mid Mid (pH 6-8) 3.13 13.56 -22.87 0 8 0 70 461.595 5
Lo Low (pH 4.5-6) 3.13 14.28 -80.2 2 8 2 73 463.611 5

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

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