UCSF

ZINC59409453

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 19 No

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) 1.89 6.22 -12.6 1 5 0 59 274.349 3
Lo Low (pH 4.5-6) 1.89 6.73 -41.66 2 5 1 61 275.357 3

Activity (Go SEA)

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