UCSF

ZINC05084121

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 27 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) 3.65 -4.28 -17.6 1 6 0 73 401.513 5
Hi High (pH 8-9.5) 3.65 -3.7 -51.65 0 6 -1 75 400.505 5

Activity (Go SEA)

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