UCSF

ZINC42765476

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 3.50 5.94 -10.81 0 2 0 27 248.292 4
Lo Low (pH 4.5-6) 3.50 7.68 -43.01 1 2 1 28 249.3 4

Activity (Go SEA)

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