UCSF

ZINC57291850

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 31 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) 3.74 9.97 -11.2 0 5 0 30 432.49 5
Lo Low (pH 4.5-6) 3.74 12.12 -50.26 1 5 1 31 433.498 5

Activity (Go SEA)

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