UCSF

ZINC33359678

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 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) 0.96 1.02 -42.29 2 7 -1 117 314.73 4
Lo Low (pH 4.5-6) 0.96 0.97 -18.88 3 7 0 115 315.738 4

Activity (Go SEA)

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