UCSF

ZINC39261167

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 26 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) 4.01 12.17 -49.37 2 4 1 38 356.534 7
Hi High (pH 8-9.5) 4.01 10.35 -10.64 1 4 0 37 355.526 7

Activity (Go SEA)

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