UCSF

ZINC16753687

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 32 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) 3.72 6.83 -17.7 1 10 0 129 461.411 11
Mid Mid (pH 6-8) 3.10 8.31 -16.27 1 5 0 65 333.409 7

Activity (Go SEA)

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