UCSF

ZINC38693621

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 32 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) 4.60 7.2 -62.49 0 6 -1 86 481.497 5
Lo Low (pH 4.5-6) 4.60 7.08 -16.5 1 6 0 84 482.505 5

Activity (Go SEA)

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