UCSF

ZINC35282360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 2.92 9.91 -60.9 0 4 -1 60 280.388 6
Lo Low (pH 4.5-6) 2.92 8.41 -11.56 1 4 0 58 281.396 6

Activity (Go SEA)

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