UCSF

ZINC35680255

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 14 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) -1.47 4.68 -39.64 1 5 0 65 198.222 3
Mid Mid (pH 6-8) -1.47 2.54 -45.02 0 5 -1 64 197.214 3

Activity (Go SEA)

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