UCSF

ZINC69500337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 19 No

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) 0.08 5.86 -43.94 1 4 -1 65 273.337 2
Mid Mid (pH 6-8) 0.08 6.86 -33.42 2 4 0 70 274.345 2
Lo Low (pH 4.5-6) 0.08 7.29 -66.73 3 4 1 71 275.353 2

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

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