UCSF

ZINC12421881

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 28 No

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) 3.81 0.38 -18.66 1 6 0 81 373.412 3
Lo Low (pH 4.5-6) 3.81 0.47 -32.91 2 6 1 82 374.42 3

Activity (Go SEA)

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