UCSF

ZINC51187741

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 20 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) 2.63 6.3 -38.75 4 3 1 60 269.368 5
Hi High (pH 8-9.5) 2.63 5.21 -9.57 3 3 0 55 268.36 5

Activity (Go SEA)

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