UCSF

ZINC09421905

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 35 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) 4.86 3.57 -18.62 0 6 0 76 466.537 6
Lo Low (pH 4.5-6) 4.86 3.71 -44.48 1 6 1 77 467.545 6

Activity (Go SEA)

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