UCSF

ZINC25446029

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 2.63 6.35 -17.16 1 8 0 79 458.555 11
Lo Low (pH 4.5-6) 2.63 8.33 -56.08 2 8 1 80 459.563 11

Activity (Go SEA)

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