UCSF

ZINC59302519

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.87 9.84 -140.52 0 4 -2 80 250.294 3
Lo Low (pH 4.5-6) 2.87 7.74 -48.5 1 4 -1 77 251.302 3
Lo Low (pH 4.5-6) 2.87 8.03 -59.09 1 4 -1 77 251.302 3

Activity (Go SEA)

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