UCSF

ZINC14520628

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 29 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) 2.31 7.9 -45.31 3 7 1 79 396.515 6
Mid Mid (pH 6-8) 2.31 5.43 -11.61 2 7 0 78 395.507 6

Activity (Go SEA)

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