UCSF

ZINC05931345

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 20 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) 4.31 9.75 -8.85 0 2 0 16 262.356 2
Lo Low (pH 4.5-6) 4.31 10.04 -24.48 1 2 1 17 263.364 2

Activity (Go SEA)

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