UCSF

ZINC34477585

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) 5.27 11.28 -43.56 0 2 -1 40 225.352 11
Lo Low (pH 4.5-6) 5.27 9.31 -5.28 1 2 0 37 226.36 11

Activity (Go SEA)

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