UCSF

ZINC40557671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 20 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) 1.36 7.59 -67.51 2 6 0 77 283.372 3
Mid Mid (pH 6-8) 1.36 5.37 -47.39 1 6 -1 76 282.364 3

Activity (Go SEA)

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