UCSF

ZINC23172293

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 31 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) 2.92 6.1 -59.79 3 7 1 83 445.609 8
Mid Mid (pH 6-8) 2.92 3.78 -17.83 2 7 0 82 444.601 8

Activity (Go SEA)

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