UCSF

ZINC04512897

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 22 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) 1.82 4.06 -19.9 2 7 0 89 322.39 7
Hi High (pH 8-9.5) 1.82 3.9 -48.77 1 7 -1 87 321.382 7

Activity (Go SEA)

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