UCSF

ZINC02026560

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 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) 2.95 8.19 -39.85 1 4 1 40 252.334 8
Hi High (pH 8-9.5) 2.95 5.68 -6.14 0 4 0 39 251.326 8

Activity (Go SEA)

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