UCSF

ZINC39743105

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 30 No

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) 2.51 8.89 -20.15 1 11 0 137 450.502 10
Hi High (pH 8-9.5) 2.69 7.68 -39.67 0 11 -1 143 449.494 10

Activity (Go SEA)

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