UCSF

ZINC20560220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 34 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) 4.10 7.85 -11.1 2 8 0 83 464.566 8
Mid Mid (pH 6-8) 4.10 9.82 -43.38 3 8 1 84 465.574 8

Activity (Go SEA)

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