UCSF

ZINC09423297

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 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) 5.86 4.23 -6.77 0 2 0 36 384.426 6
Lo Low (pH 4.5-6) 5.86 4.41 -35.01 1 2 1 37 385.434 6

Activity (Go SEA)

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