UCSF

ZINC20078283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 1.56 2.74 -50.38 4 3 1 60 231.678 4
Mid Mid (pH 6-8) 1.56 1.5 -11.01 3 3 0 55 230.67 4

Activity (Go SEA)

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