UCSF

ZINC37044954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.41 3.74 -45.73 4 5 1 83 259.37 8
Mid Mid (pH 6-8) 1.41 3.42 -9.7 3 5 0 81 258.362 8

Activity (Go SEA)

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