UCSF

ZINC16730598

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) 3.47 9.14 -55.47 0 6 -1 79 424.448 10
Mid Mid (pH 6-8) 3.92 7.73 -32.42 1 6 0 76 425.456 9
Mid Mid (pH 6-8) 2.89 8.75 -26.02 0 6 0 73 425.456 10

Activity (Go SEA)

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