UCSF

ZINC43904681

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 3.21 6.89 -34.07 2 3 1 29 275.416 4
Hi High (pH 8-9.5) 3.21 5.93 -2.51 1 3 0 24 274.408 4
Mid Mid (pH 6-8) 3.21 8.37 -104.24 3 3 2 30 276.424 4
Mid Mid (pH 6-8) 3.21 7.83 -32.8 2 3 1 26 275.416 4

Activity (Go SEA)

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