UCSF

ZINC33579320

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 29 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) 5.29 14.8 -14.22 1 5 0 56 450.336 7
Lo Low (pH 4.5-6) 5.29 15.11 -29.19 2 5 1 57 451.344 7

Activity (Go SEA)

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