UCSF

ZINC40078969

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 39 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) 8.31 14.13 -59.48 1 6 -1 90 534.717 12
Lo Low (pH 4.5-6) 8.31 13.38 -11.61 2 6 0 87 535.725 12

Activity (Go SEA)

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