UCSF

ZINC12249668

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 5.70 -2.9 -10.75 3 4 0 68 414.317 3
Lo Low (pH 4.5-6) 5.70 -2.78 -34 4 4 1 69 415.325 3

Activity (Go SEA)

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