UCSF

ZINC40092466

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) 4.80 12.1 -56.33 0 8 -1 115 449.483 10
Lo Low (pH 4.5-6) 4.80 11.36 -14.43 1 8 0 113 450.491 10

Activity (Go SEA)

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