UCSF

ZINC33822236

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 15 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) 5.06 10.49 -43.59 0 2 -1 40 211.325 10
Lo Low (pH 4.5-6) 5.06 8.51 -5.32 1 2 0 37 212.333 10

Activity (Go SEA)

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