UCSF

ZINC57416736

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 25 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) 3.78 8.59 -9.13 1 4 0 39 353.853 3
Lo Low (pH 4.5-6) 3.78 10.79 -49.21 2 4 1 41 354.861 3

Activity (Go SEA)

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