UCSF

ZINC36750309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.67 5.38 -40.64 2 4 1 35 265.377 6
Lo Low (pH 4.5-6) 1.67 6.55 -119.75 3 4 2 40 266.385 6

Activity (Go SEA)

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