UCSF

ZINC37240421

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 3.87 6.87 -40.9 2 3 1 23 402.344 5
Mid Mid (pH 6-8) 3.87 7.7 -31.25 2 3 1 20 402.344 5
Lo Low (pH 4.5-6) 3.87 9.23 -97.42 3 3 2 24 403.352 5

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

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