UCSF

ZINC05572595

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 15 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) 3.91 8.32 -4.75 0 1 0 13 235.739 3
Lo Low (pH 4.5-6) 3.91 8.59 -33.65 1 1 1 14 236.747 3

Activity (Go SEA)

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