UCSF

ZINC38258791

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 22 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 10.6 -36.78 1 2 1 17 293.434 1
Hi High (pH 8-9.5) 4.31 9.27 -4.71 0 2 0 16 292.426 1

Activity (Go SEA)

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