UCSF

ZINC52289371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) -0.52 -2.69 -38.78 6 5 1 100 186.235 4
Hi High (pH 8-9.5) -0.52 -3.03 -10.57 5 5 0 98 185.227 4

Activity (Go SEA)

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