UCSF

ZINC16752131

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 28 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) 2.42 4.02 -16.22 0 10 0 120 411.351 8
Mid Mid (pH 6-8) 3.32 7.27 -47.36 3 6 1 80 422.615 9

Activity (Go SEA)

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