UCSF

ZINC57010988

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2011 27 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) 2.31 10.56 -15.32 0 5 0 55 375.453 5
Lo Low (pH 4.5-6) 2.31 11.25 -43.09 1 5 1 56 376.461 5

Activity (Go SEA)

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