UCSF

ZINC01228920

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 19 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) 5.09 9.33 -37.78 0 2 -1 40 379.027 1
Mid Mid (pH 6-8) 4.41 1.87 -14.43 0 2 0 34 380.035 1

Activity (Go SEA)

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