UCSF

ZINC40099893

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.96 6.44 -54.87 1 5 -1 81 388.802 5
Lo Low (pH 4.5-6) 2.96 5.68 -10.79 2 5 0 78 389.81 5

Activity (Go SEA)

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