UCSF

ZINC35133258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 20 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) 1.62 4.5 -43.95 3 4 1 49 274.388 6
Lo Low (pH 4.5-6) 1.62 6.94 -120.02 4 4 2 50 275.396 6

Activity (Go SEA)

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