UCSF

ZINC50005215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 16 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) 2.47 8.17 -43.66 0 3 -1 43 224.255 6
Lo Low (pH 4.5-6) 2.47 6.2 -7.69 1 3 0 41 225.263 6

Activity (Go SEA)

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