UCSF

ZINC03966575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 36 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) 1.66 5.3 -18.33 3 10 0 138 515.636 9
Lo Low (pH 4.5-6) 1.66 5.7 -51.05 4 10 1 139 516.644 9

Activity (Go SEA)

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