UCSF

ZINC50027958

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 17 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) -2.71 1.29 -76.45 6 6 1 113 244.315 7
Hi High (pH 8-9.5) -2.71 0.06 -45.07 5 6 0 109 243.307 7

Activity (Go SEA)

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