UCSF

ZINC31909635

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 4.00 11.34 -90.95 4 4 2 49 336.483 4
Hi High (pH 8-9.5) 4.00 10.92 -42.27 3 4 1 48 335.475 4
Hi High (pH 8-9.5) 4.00 8.56 -11.39 2 4 0 47 334.467 4
Mid Mid (pH 6-8) 4.00 8.98 -25.19 3 4 1 48 335.475 4

Activity (Go SEA)

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