UCSF

ZINC27554586

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 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) 3.00 5.92 -7.75 2 2 0 39 208.264 0
Mid Mid (pH 6-8) 3.00 6.37 -24.93 3 2 1 40 209.272 0

Activity (Go SEA)

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