UCSF

ZINC35048619

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 26 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) 4.17 7.46 -15.88 4 5 0 84 362.82 3
Lo Low (pH 4.5-6) 4.17 7.87 -31.84 5 5 1 85 363.828 3

Activity (Go SEA)

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