UCSF

ZINC44628897

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.11 9.51 -12.98 0 4 0 36 401.432 4
Lo Low (pH 4.5-6) 3.11 11.43 -79.68 2 4 2 39 403.448 4

Activity (Go SEA)

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