UCSF

ZINC25458316

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 3.25 4.39 -18.23 1 7 0 80 451.577 6
Lo Low (pH 4.5-6) 3.25 6.69 -50.72 2 7 1 81 452.585 6

Activity (Go SEA)

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