UCSF

ZINC36877070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.10 4.69 -55.44 4 5 1 75 288.371 3
Hi High (pH 8-9.5) 0.10 4.42 -11.71 3 5 0 73 287.363 3
Lo Low (pH 4.5-6) 0.10 5.17 -123.71 5 5 2 76 289.379 3

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

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