UCSF

ZINC57860274

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 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) 2.31 6.15 -40.82 3 3 1 48 247.362 4
Hi High (pH 8-9.5) 2.31 4.25 -7.38 2 3 0 46 246.354 4

Activity (Go SEA)

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