UCSF

ZINC12249684

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2008 30 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) 5.16 -2.79 -12.57 3 6 0 86 439.924 5
Lo Low (pH 4.5-6) 5.16 -2.68 -39.47 4 6 1 88 440.932 5

Activity (Go SEA)

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