UCSF

ZINC08060925

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 24 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) 5.22 9.01 -8.01 1 3 0 42 342.801 3
Lo Low (pH 4.5-6) 5.22 9.68 -29.18 2 3 1 43 343.809 3

Activity (Go SEA)

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