UCSF

ZINC16730592

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 3.45 9.37 -53.09 0 6 -1 79 424.448 10
Mid Mid (pH 6-8) 3.90 7.38 -26.51 1 6 0 76 425.456 9
Mid Mid (pH 6-8) 2.87 8.23 -17.46 0 6 0 73 425.456 10

Activity (Go SEA)

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