UCSF

ZINC25313514

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 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) 2.15 8.2 -48.27 1 6 1 60 330.408 6
Mid Mid (pH 6-8) 2.15 8.26 -53.79 1 6 1 60 330.408 6
Mid Mid (pH 6-8) 2.15 5.87 -10.14 0 6 0 59 329.4 6

Activity (Go SEA)

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