UCSF

ZINC36231731

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 No

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) -1.79 -3.99 -15.45 4 7 0 102 230.268 4
Lo Low (pH 4.5-6) -1.79 -1.73 -49.45 5 7 1 104 231.276 4

Activity (Go SEA)

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