UCSF

ZINC35634165

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) 1.32 0.8 -48.56 1 5 -1 81 283.354 4
Mid Mid (pH 6-8) 2.25 1.36 -15.41 2 5 0 83 284.362 3

Activity (Go SEA)

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