UCSF

ZINC19725955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 21 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) 2.04 5.7 -91.29 3 4 2 34 293.455 7
Hi High (pH 8-9.5) 2.04 4.28 -34.95 2 4 1 29 292.447 7

Activity (Go SEA)

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