UCSF

ZINC05477102

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 16 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) 2.98 6.97 -13.45 1 3 0 38 281.153 2
Mid Mid (pH 6-8) 3.44 5.07 -5.76 1 3 0 38 281.153 2

Activity (Go SEA)

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