UCSF

ZINC43447353

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 1.47 6.76 -8.42 0 4 0 53 224.304 9
Mid Mid (pH 6-8) 1.47 8.67 -45.7 1 4 1 55 225.312 9

Activity (Go SEA)

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