UCSF

ZINC04146295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 35 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) 4.36 9.95 -15.46 1 7 0 83 499.608 10
Hi High (pH 8-9.5) 4.36 10.02 -40.85 0 7 -1 85 498.6 10

Activity (Go SEA)

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