UCSF

ZINC20152209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 27 No

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) 4.37 7.38 -12.92 1 4 0 54 420.365 5
Lo Low (pH 4.5-6) 4.37 8.18 -46.38 2 4 1 55 421.373 5

Activity (Go SEA)

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