UCSF

ZINC14957279

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 25 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) 2.81 10.36 -40.78 1 4 1 26 345.555 6
Mid Mid (pH 6-8) 2.81 12.84 -110.49 2 4 2 27 346.563 6

Activity (Go SEA)

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