UCSF

ZINC33872482

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 33 No

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) -0.83 5.5 -52.7 2 11 -1 163 452.399 5
Lo Low (pH 4.5-6) -0.65 5.13 -82.07 2 11 -1 174 452.399 5

Activity (Go SEA)

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