UCSF

ZINC60048067

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 8.60 18.3 -133.16 0 4 -2 80 380.569 19
Lo Low (pH 4.5-6) 8.60 16.16 -49.15 1 4 -1 77 381.577 19
Lo Low (pH 4.5-6) 8.60 16.32 -55.45 1 4 -1 77 381.577 19

Activity (Go SEA)

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