UCSF

ZINC38427989

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 30 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) -4.45 7.88 -257.69 2 12 -4 219 420.33 12
Lo Low (pH 4.5-6) -4.45 5.93 -187.9 3 12 -3 216 421.338 12

Activity (Go SEA)

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