UCSF

ZINC66211961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 13 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) 0.67 0.06 -8.21 1 4 0 42 186.255 4
Lo Low (pH 4.5-6) 0.67 2.25 -37.65 2 4 1 43 187.263 4

Activity (Go SEA)

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