UCSF

ZINC42943280

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.38 2.24 -46.29 2 4 -1 75 278.332 4
Mid Mid (pH 6-8) 1.92 4.02 -10.42 3 4 0 72 279.34 4
Mid Mid (pH 6-8) 1.92 4.38 -64.56 4 4 1 73 280.348 4
Mid Mid (pH 6-8) 2.38 2.58 -71.7 3 4 0 76 279.34 4

Activity (Go SEA)

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