UCSF

ZINC37019083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 3.32 6.14 -45.71 4 3 1 57 297.85 6
Mid Mid (pH 6-8) 3.32 5.85 -4.88 3 3 0 55 296.842 6

Activity (Go SEA)

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