UCSF

ZINC33870657

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 20 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) 3.04 3.77 -10.71 3 4 0 68 294.782 3
Hi High (pH 8-9.5) 3.04 4.52 -54.77 2 4 -1 71 293.774 3

Activity (Go SEA)

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