UCSF

ZINC12434780

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 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) 1.67 8.65 -11.98 0 5 0 54 329.444 5
Lo Low (pH 4.5-6) 1.67 8.93 -42.92 1 5 1 55 330.452 5

Activity (Go SEA)

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