UCSF

ZINC34667323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 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) 0.48 2.4 -13.54 1 6 0 62 336.432 8
Mid Mid (pH 6-8) 0.48 4.75 -45.9 2 6 1 63 337.44 8

Activity (Go SEA)

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