UCSF

ZINC05906303

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 31 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) 4.22 2.41 -14.1 1 6 0 83 419.477 6
Mid Mid (pH 6-8) 3.63 2.22 -21.23 0 6 0 80 419.477 6

Activity (Go SEA)

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