UCSF

ZINC36239635

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 3.66 11.01 -48.81 2 4 1 37 355.893 3
Lo Low (pH 4.5-6) 3.66 10.99 -82.37 3 4 2 38 356.901 3

Activity (Go SEA)

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