UCSF

ZINC39289604

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 3.50 7.31 -13.55 0 6 0 59 369.417 7
Lo Low (pH 4.5-6) 3.50 7.56 -44.91 1 6 1 60 370.425 7

Activity (Go SEA)

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