UCSF

ZINC15941224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 37 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) 3.28 6.66 -52.56 0 11 -1 143 521.579 7
Lo Low (pH 4.5-6) 2.83 8.39 -32.59 1 11 0 140 522.587 7

Activity (Go SEA)

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