UCSF

ZINC37838434

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.75 2.81 -50.61 0 6 -1 81 313.38 4
Lo Low (pH 4.5-6) 0.75 5.05 -71.33 1 6 0 82 314.388 4

Activity (Go SEA)

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