UCSF

ZINC43444925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 0.68 0.89 -51.63 4 4 1 66 226.296 7
Hi High (pH 8-9.5) 0.68 0.49 -7.56 3 4 0 65 225.288 7

Activity (Go SEA)

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