UCSF

ZINC11806537

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2008 28 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) 3.81 6.14 -22.14 2 7 0 101 436.946 6
Mid Mid (pH 6-8) 3.88 5.22 -51.93 1 7 -1 107 435.938 6

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

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