UCSF

ZINC02855169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 34 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) 7.92 17.46 -14.37 1 5 0 75 483.98 6
Lo Low (pH 4.5-6) 7.92 17.38 -31.41 2 5 1 76 484.988 6

Activity (Go SEA)

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