UCSF

ZINC20146206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 20 Yes

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) 3.85 10.54 -108.9 3 2 2 21 345.3 6
Hi High (pH 8-9.5) 3.85 8.25 -41.23 2 2 1 20 344.292 6
Hi High (pH 8-9.5) 3.85 9.12 -34.94 2 2 1 16 344.292 6

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