UCSF

ZINC28469721

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 26 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) 1.27 4.29 -48.22 4 7 1 90 367.376 4
Mid Mid (pH 6-8) 1.27 4 -15.79 3 7 0 88 366.368 4

Activity (Go SEA)

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