UCSF

ZINC52294117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 2.43 7.19 -124.23 4 2 2 33 218.344 3
Mid Mid (pH 6-8) 2.43 5.92 -37.78 3 2 1 29 217.336 3

Activity (Go SEA)

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