UCSF

ZINC04417637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 26 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) 2.20 -1.29 -13.42 2 6 0 74 354.454 6
Lo Low (pH 4.5-6) 2.20 -1.18 -48.77 3 6 1 75 355.462 6

Activity (Go SEA)

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