UCSF

ZINC59371060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 7.36 13.5 -12.57 0 4 0 38 413.565 9
Mid Mid (pH 6-8) 7.36 15.91 -44.26 1 4 1 39 414.573 9

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