UCSF

ZINC16730021

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 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) 6.25 12.41 -14.83 1 7 0 85 521.654 14
Mid Mid (pH 6-8) 5.66 13.11 -21.33 0 7 0 82 521.654 14

Activity (Go SEA)

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