UCSF

ZINC12247604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2008 34 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) 3.24 10.25 -12.87 1 7 0 83 480.634 5
Lo Low (pH 4.5-6) 3.24 10.54 -48.01 2 7 1 84 481.642 5

Activity (Go SEA)

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