UCSF

ZINC09459731

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.38 10.03 -11.53 1 5 0 60 422.579 6
Lo Low (pH 4.5-6) 5.38 10.31 -26.52 2 5 1 61 423.587 6

Activity (Go SEA)

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