UCSF

ZINC40466378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 36 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) 5.48 13.23 -50.58 0 8 -1 97 479.564 9
Lo Low (pH 4.5-6) 5.48 13.25 -15.82 1 8 0 99 480.572 9

Activity (Go SEA)

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