UCSF

ZINC40175561

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 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) 3.95 8.99 -11.08 1 4 0 51 328.318 5
Lo Low (pH 4.5-6) 3.95 9.42 -31.59 2 4 1 52 329.326 5

Activity (Go SEA)

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