UCSF

ZINC16672989

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 30 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) 4.92 11.01 -12.15 1 5 0 67 415.449 2
Mid Mid (pH 6-8) 5.38 7.84 -45.68 0 5 -1 70 414.441 2
Mid Mid (pH 6-8) 5.38 9.06 -45.71 0 5 -1 70 414.441 2

Activity (Go SEA)

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