UCSF

ZINC36787005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 2.58 6.6 -124.2 4 2 2 32 236.403 5
Hi High (pH 8-9.5) 2.58 6.12 -27.61 3 2 1 30 235.395 5
Mid Mid (pH 6-8) 2.58 4.89 -44.03 3 2 1 31 235.395 5

Activity (Go SEA)

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