UCSF

ZINC36201894

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.15 7.28 -45.78 0 4 -1 66 235.259 6
Lo Low (pH 4.5-6) 2.15 5.3 -8.51 1 4 0 64 236.267 6

Activity (Go SEA)

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