UCSF

ZINC27156637

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 28 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) 3.52 10.99 -14.49 0 5 0 42 382.504 7
Lo Low (pH 4.5-6) 3.52 11.63 -41.6 1 5 1 43 383.512 7

Activity (Go SEA)

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