UCSF

ZINC04379034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 22 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) 3.84 7.7 -9.31 2 4 0 54 337.876 6
Lo Low (pH 4.5-6) 3.84 8.05 -31.05 3 4 1 55 338.884 6

Activity (Go SEA)

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