UCSF

ZINC20687262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 33 Yes

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) 3.30 9.64 -50.68 2 7 1 66 451.591 9
Mid Mid (pH 6-8) 3.30 9.62 -47.79 2 7 1 66 451.591 9
Mid Mid (pH 6-8) 3.30 7.36 -13.81 1 7 0 65 450.583 9

Activity (Go SEA)

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