UCSF

ZINC16956640

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 27 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) 1.68 5.92 -55.5 1 8 -1 126 367.337 6
Mid Mid (pH 6-8) 1.68 5.61 -18.66 2 8 0 124 368.345 6
Mid Mid (pH 6-8) 1.10 5.96 -17.76 1 8 0 121 368.345 6

Activity (Go SEA)

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