UCSF

ZINC35205573

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 19 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) 3.65 5.98 -3.89 2 2 0 32 320.23 5
Lo Low (pH 4.5-6) 3.65 7.16 -45 3 2 1 37 321.238 5

Activity (Go SEA)

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