UCSF

ZINC49938044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.65 5.38 -124.99 3 6 2 65 256.35 6
Hi High (pH 8-9.5) -0.65 4.02 -42.99 2 6 1 60 255.342 6
Hi High (pH 8-9.5) -0.65 1.71 -11.62 1 6 0 59 254.334 6
Mid Mid (pH 6-8) -0.65 3.07 -51.56 2 6 1 64 255.342 6

Activity (Go SEA)

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