UCSF

ZINC04572805

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 27 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) 3.90 9.86 -19.89 2 5 0 63 379.485 9
Lo Low (pH 4.5-6) 3.90 10.21 -39.71 3 5 1 64 380.493 9

Activity (Go SEA)

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