UCSF

ZINC04451095

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 24 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) 4.08 10.16 -9.83 0 4 0 55 340.448 6
Lo Low (pH 4.5-6) 4.08 10.34 -34.6 1 4 1 56 341.456 6

Activity (Go SEA)

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