UCSF

ZINC21262391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 27 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) 3.62 12.59 -36.92 1 5 1 37 366.533 5
Mid Mid (pH 6-8) 3.62 10.37 -6.53 0 5 0 35 365.525 5

Activity (Go SEA)

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