UCSF

ZINC24886794

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 24 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) 2.81 8.45 -117.43 3 4 2 34 333.52 8
Hi High (pH 8-9.5) 2.81 6.97 -42.38 2 4 1 29 332.512 8
Mid Mid (pH 6-8) 2.81 6.01 -41.09 2 4 1 32 332.512 8
Lo Low (pH 4.5-6) 2.81 10.68 -208.54 4 4 3 35 334.528 8

Activity (Go SEA)

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