UCSF

ZINC33822256

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) 3.13 6.34 -45.06 1 3 -1 60 213.297 10
Lo Low (pH 4.5-6) 3.13 4.36 -6.81 2 3 0 58 214.305 10

Activity (Go SEA)

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