UCSF

ZINC25975791

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 26 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) 3.94 9.59 -100.32 0 6 -2 99 364.438 12
Lo Low (pH 4.5-6) 3.94 8.47 -53.92 1 6 -1 96 365.446 12

Activity (Go SEA)

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