UCSF

ZINC59397553

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 28 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) 6.27 15.57 -47.12 0 3 -1 49 383.552 13
Lo Low (pH 4.5-6) 6.27 13.6 -8.09 1 3 0 47 384.56 13

Activity (Go SEA)

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