UCSF

ZINC20469674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.00 2.49 -55.75 5 5 1 87 285.371 3
Hi High (pH 8-9.5) 1.00 2.11 -12.49 4 5 0 85 284.363 3
Mid Mid (pH 6-8) 1.00 2.92 -110.8 6 5 2 88 286.379 3

Activity (Go SEA)

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