UCSF

ZINC05162897

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 22 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) 5.53 11.5 -8.92 0 1 0 13 279.342 0
Lo Low (pH 4.5-6) 5.53 11.95 -38.57 1 1 1 14 280.35 0

Activity (Go SEA)

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