UCSF

ZINC25560615

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 27 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) 4.88 12.29 -15.26 0 5 0 52 480.256 4
Mid Mid (pH 6-8) 4.89 13.39 -32.75 2 5 1 57 481.264 4
Mid Mid (pH 6-8) 4.88 12.76 -33.06 1 5 1 54 481.264 4
Mid Mid (pH 6-8) 4.88 12.6 -41.08 1 5 1 54 481.264 4

Activity (Go SEA)

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