UCSF

ZINC37793561

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.31 5.76 -63.47 1 8 -1 113 272.244 4
Lo Low (pH 4.5-6) 0.31 3.77 -22.06 2 8 0 110 273.252 4

Activity (Go SEA)

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