UCSF

ZINC35180006

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 1.86 5.28 -7.16 0 3 0 36 238.718 5
Mid Mid (pH 6-8) 1.86 7.65 -47.97 1 3 1 37 239.726 5

Activity (Go SEA)

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