UCSF

ZINC41546301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 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) 2.54 7.78 -15.25 2 7 0 85 342.399 5
Hi High (pH 8-9.5) 2.73 5.02 -56.45 1 7 -1 92 341.391 5

Activity (Go SEA)

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