UCSF

ZINC34990027

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.09 8.58 -36.47 1 3 1 25 275.416 5
Mid Mid (pH 6-8) 3.09 6.31 -7.11 0 3 0 24 274.408 5
Mid Mid (pH 6-8) 3.09 8.51 -38.74 1 3 1 25 275.416 5

Activity (Go SEA)

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