UCSF

ZINC36103185

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 0.95 0.94 -6.48 1 6 0 58 326.437 10
Mid Mid (pH 6-8) 0.95 3.01 -40.03 2 6 1 60 327.445 10
Lo Low (pH 4.5-6) 0.95 3.22 -37.21 2 6 1 60 327.445 10
Lo Low (pH 4.5-6) 0.95 5.26 -119.36 3 6 2 61 328.453 10

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

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