UCSF

ZINC16753849

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 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) 3.89 7.17 -20.46 1 9 0 119 451.803 9
Mid Mid (pH 6-8) 3.42 5.8 -9.91 1 4 0 55 312.394 4

Activity (Go SEA)

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