UCSF

ZINC40101898

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 33 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) 5.25 12.49 -57.35 0 8 -1 115 451.499 11
Lo Low (pH 4.5-6) 5.25 11.73 -18.24 1 8 0 113 452.507 11

Activity (Go SEA)

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