UCSF

ZINC52574594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 13 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) 0.17 5.07 -48.88 2 4 1 47 183.279 4
Lo Low (pH 4.5-6) 0.17 5.49 -90.57 3 4 2 49 184.287 4

Activity (Go SEA)

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