UCSF

ZINC16731039

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 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) 5.36 13.43 -71.68 1 7 0 83 508.659 15
Mid Mid (pH 6-8) 5.80 12.28 -56.71 2 7 1 81 509.667 14
Mid Mid (pH 6-8) 4.77 13.27 -56.09 1 7 1 77 509.667 15

Activity (Go SEA)

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