UCSF

ZINC04143937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 29 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) 2.04 -1.94 -23.4 1 8 0 84 394.431 5
Lo Low (pH 4.5-6) 2.04 -1.88 -46.48 2 8 1 85 395.439 5

Activity (Go SEA)

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