UCSF

ZINC08724835

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 33 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) 3.85 -6.65 -17.45 1 8 0 97 489.619 6
Lo Low (pH 4.5-6) 3.85 -6.61 -41.37 2 8 1 99 490.627 6

Activity (Go SEA)

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