UCSF

ZINC41723343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 0.22 6.51 -84.94 4 3 2 37 251.418 3
Hi High (pH 8-9.5) 0.22 4.16 -38.81 3 3 1 36 250.41 3

Activity (Go SEA)

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