UCSF

ZINC35346615

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 15 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) 0.86 5.86 -56.02 2 5 0 83 217.265 8
Mid Mid (pH 6-8) 0.86 4.66 -47.17 1 5 -1 78 216.257 8

Activity (Go SEA)

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