UCSF

ZINC64954811

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.54 7.3 -45.84 1 4 1 42 351.945 5
Hi High (pH 8-9.5) 3.54 4.9 -6.22 0 4 0 41 350.937 5

Activity (Go SEA)

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