UCSF

ZINC35424651

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 3.31 8.36 -48.15 0 3 -1 49 239.266 7
Lo Low (pH 4.5-6) 3.31 6.38 -10.94 1 3 0 47 240.274 7

Activity (Go SEA)

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