UCSF

ZINC35663792

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 0.90 5.49 -82.05 4 4 2 58 224.352 5
Mid Mid (pH 6-8) 0.90 5.01 -45.74 3 4 1 57 223.344 5

Activity (Go SEA)

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