UCSF

ZINC43411708

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.25 4.46 -120.84 5 4 2 64 269.364 6
Hi High (pH 8-9.5) 1.25 1.18 -7.02 3 4 0 58 267.348 6
Mid Mid (pH 6-8) 1.25 2.39 -44.09 4 4 1 63 268.356 6
Mid Mid (pH 6-8) 1.25 3.18 -35.89 4 4 1 60 268.356 6

Activity (Go SEA)

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