UCSF

ZINC67442220

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 25 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) 3.65 9.96 -30.43 1 4 1 39 388.563 6
Hi High (pH 8-9.5) 3.65 9.05 -10.55 0 4 0 38 387.555 6

Activity (Go SEA)

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