UCSF

ZINC49538589

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) 0.51 2.32 -48.27 4 3 1 57 191.254 2
Hi High (pH 8-9.5) 0.51 1.91 -9.03 3 3 0 55 190.246 2

Activity (Go SEA)

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