UCSF

ZINC00116821

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 0.26 1.93 -13.45 0 8 0 88 280.284 5
Mid Mid (pH 6-8) 0.26 2.19 -52.51 1 8 1 89 281.292 5

Activity (Go SEA)

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