UCSF

ZINC31912717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 3.68 8.62 -51.4 3 3 1 45 339.301 5
Hi High (pH 8-9.5) 3.68 8.32 -5.03 2 3 0 43 338.293 5
Mid Mid (pH 6-8) 3.68 9.03 -100.47 4 3 2 46 340.309 5

Activity (Go SEA)

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