UCSF

ZINC26997326

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 28 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) -0.19 7.27 -95.68 3 6 0 93 409.82 3
Mid Mid (pH 6-8) -2.94 6.32 -74.36 4 6 1 96 410.828 2

Activity (Go SEA)

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