UCSF

ZINC28521944

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 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) 2.59 9.55 -34.91 1 6 1 64 372.47 7
Mid Mid (pH 6-8) 2.59 9.27 -10.88 0 6 0 63 371.462 7

Activity (Go SEA)

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