UCSF

ZINC35698233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 16 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) 2.20 6.9 -10.49 1 3 0 38 252.364 1
Mid Mid (pH 6-8) 2.66 4.8 -40.72 0 3 -1 41 251.356 1

Activity (Go SEA)

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