UCSF

ZINC22705221

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 24 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) 2.37 6.47 -44.54 1 6 -1 79 340.384 3
Mid Mid (pH 6-8) 1.91 6.89 -16.06 2 6 0 76 341.392 3

Activity (Go SEA)

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