UCSF

ZINC44232820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 13 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) -1.06 -2.06 -52.51 5 3 1 68 186.206 3
Hi High (pH 8-9.5) -1.06 -1.3 -73.78 4 3 0 71 185.198 3

Activity (Go SEA)

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