UCSF

ZINC39049996

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 10 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) -0.11 -1.38 -7.36 3 3 0 59 138.17 1
Mid Mid (pH 6-8) -0.11 -0.96 -28.04 4 3 1 60 139.178 1

Activity (Go SEA)

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