UCSF

ZINC05860973

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 28 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) 3.93 9.42 -26.44 2 6 0 84 397.5 4
Hi High (pH 8-9.5) 4.55 -1.79 -11.36 2 6 0 84 397.5 4

Activity (Go SEA)

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