UCSF

ZINC04706568

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 17 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) 3.18 2.73 -4.91 0 4 0 52 262.371 11
Hi High (pH 8-9.5) 3.18 1.77 -45.36 0 4 -1 52 261.363 11

Activity (Go SEA)

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