UCSF

ZINC35036709

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.68 5.8 -3.33 1 2 0 15 190.29 3
Lo Low (pH 4.5-6) 2.68 6.37 -32.77 2 2 1 20 191.298 3

Activity (Go SEA)

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