UCSF

ZINC50659454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 18 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) 0.25 -0.23 -45.07 1 7 -1 99 264.29 4
Mid Mid (pH 6-8) 0.25 0.26 -42.86 2 7 0 100 265.298 4
Lo Low (pH 4.5-6) 0.25 0.14 -13.38 2 7 0 97 265.298 4

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

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