UCSF

ZINC53150072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.66 3.84 -52.14 4 3 1 57 296.749 4
Hi High (pH 8-9.5) 3.66 2.83 -7.99 3 3 0 52 295.741 4

Activity (Go SEA)

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