UCSF

ZINC19833514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 11 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) -1.67 1 -50.86 3 4 1 72 156.209 3
Mid Mid (pH 6-8) -1.67 0.66 -13.29 2 4 0 70 155.201 3

Activity (Go SEA)

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