UCSF

ZINC39749905

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 35 No

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) 1.78 6.49 -22.95 3 9 0 122 514.608 8
Lo Low (pH 4.5-6) 1.78 7.63 -44.25 4 9 1 123 515.616 8

Activity (Go SEA)

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