UCSF

ZINC49398673

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 18 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) 2.47 7.49 -35.03 2 3 1 34 247.362 4
Hi High (pH 8-9.5) 2.47 5.12 -8.76 1 3 0 32 246.354 4

Activity (Go SEA)

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