UCSF

ZINC14520326

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 28 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) 2.16 6.93 -47.31 3 7 1 79 402.906 5
Mid Mid (pH 6-8) 2.16 4.46 -14.51 2 7 0 78 401.898 5

Activity (Go SEA)

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