UCSF

ZINC12402927

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 9 No

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) 2.28 8.33 -54.74 0 2 -1 18 183.214 0
Mid Mid (pH 6-8) 2.28 7.55 -18.46 0 2 0 18 184.222 0

Activity (Go SEA)

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