UCSF

ZINC04063049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 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) 4.82 -1.54 -22.39 1 7 0 100 410.842 4
Lo Low (pH 4.5-6) 4.82 -1.46 -42.27 2 7 1 101 411.85 4

Activity (Go SEA)

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