UCSF

ZINC39048679

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 1.08 2.62 -7.21 2 3 0 56 150.181 1
Mid Mid (pH 6-8) 1.08 3.04 -32.74 3 3 1 57 151.189 1

Activity (Go SEA)

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