UCSF

ZINC44124638

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 1.77 5.31 -34.51 2 3 1 28 249.378 3
Hi High (pH 8-9.5) 1.77 5.06 -32.21 2 3 1 28 249.378 3

Activity (Go SEA)

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