UCSF

ZINC03944782

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 17 No

Other Names:

MFCD02178814

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) 2.78 0.26 -7.28 0 3 0 30 269.131 3
Mid Mid (pH 6-8) 2.78 0.54 -31.93 1 3 1 31 270.139 3

Activity (Go SEA)

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