UCSF

ZINC39645391

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 29 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) -1.86 2.05 -67.15 4 9 -1 145 418.451 6
Lo Low (pH 4.5-6) -1.86 2.38 -94.72 5 9 0 147 419.459 6

Activity (Go SEA)

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