UCSF

ZINC31910240

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 4.12 9.5 -24.66 3 4 1 48 323.464 5
Hi High (pH 8-9.5) 4.12 9.03 -11.21 2 4 0 47 322.456 5
Mid Mid (pH 6-8) 4.12 11.15 -89.77 4 4 2 49 324.472 5

Activity (Go SEA)

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