UCSF

ZINC25385032

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 3.33 6.19 -14.69 1 7 0 80 442.519 6
Lo Low (pH 4.5-6) 3.33 8.54 -59.93 2 7 1 82 443.527 6

Activity (Go SEA)

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