UCSF

ZINC20461162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 35 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) 2.78 6.25 -10.5 1 9 0 85 498.653 6
Mid Mid (pH 6-8) 2.78 8.58 -48.25 2 9 1 86 499.661 6

Activity (Go SEA)

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