UCSF

ZINC51188635

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 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) 4.40 9.18 -50.42 3 3 1 46 352.285 5
Hi High (pH 8-9.5) 4.40 8.1 -10.16 2 3 0 41 351.277 5

Activity (Go SEA)

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