UCSF

ZINC20157647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 26 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) 7.49 12.88 -50.03 2 3 1 37 363.61 5
Hi High (pH 8-9.5) 7.49 11.41 -9.57 1 3 0 32 362.602 5

Activity (Go SEA)

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