UCSF

ZINC51580509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 29 Yes

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) 2.51 10.81 -38.78 2 6 1 67 398.527 9
Hi High (pH 8-9.5) 2.51 8.63 -13.13 1 6 0 66 397.519 9

Activity (Go SEA)

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