UCSF

ZINC35807845

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 3.57 7.61 -16.54 1 6 0 64 455.967 8
Lo Low (pH 4.5-6) 3.57 9.75 -64.49 2 6 1 65 456.975 8

Activity (Go SEA)

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