UCSF

ZINC41650443

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 5.46 10.65 -36.18 2 2 1 16 419.225 6
Mid Mid (pH 6-8) 5.46 9.22 -41.13 2 2 1 20 419.225 6

Activity (Go SEA)

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