UCSF

ZINC61321280

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 17 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) 0.61 2.55 -8.59 1 5 0 56 251.721 4
Mid Mid (pH 6-8) 0.61 3.01 -34.29 2 5 1 57 252.729 4
Lo Low (pH 4.5-6) 0.61 3.93 -48.41 2 5 1 60 252.729 4

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

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