UCSF

ZINC33782325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 31 Yes

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) 3.21 10.92 -26.16 1 7 0 80 451.939 3
Lo Low (pH 4.5-6) 3.21 11.37 -50.67 2 7 1 81 452.947 3

Activity (Go SEA)

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