UCSF

ZINC57772502

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 23 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) 4.61 7.63 -11.02 1 4 0 55 316.307 4
Hi High (pH 8-9.5) 5.06 5.81 -53.53 0 4 -1 58 315.299 4

Activity (Go SEA)

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