UCSF

ZINC05052105

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 27 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) 2.33 2.82 -10.9 3 8 0 115 370.409 5
Lo Low (pH 4.5-6) 2.33 2.98 -56.68 4 8 1 117 371.417 5

Activity (Go SEA)

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