UCSF

ZINC12148466

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2008 27 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) 3.04 0.46 -12.55 1 6 0 69 364.449 6
Lo Low (pH 4.5-6) 3.04 0.57 -42.45 2 6 1 70 365.457 6

Activity (Go SEA)

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