UCSF

ZINC66211960

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 14 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) 1.23 0.83 -8.11 1 4 0 42 200.282 5
Lo Low (pH 4.5-6) 1.23 3.02 -37.76 2 4 1 43 201.29 5

Activity (Go SEA)

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