UCSF

ZINC43898449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 1.40 5.37 -113.46 3 5 2 49 300.443 4
Hi High (pH 8-9.5) 1.40 1.96 -3.32 1 5 0 43 298.427 4
Mid Mid (pH 6-8) 1.40 4.34 -30.9 2 5 1 44 299.435 4
Mid Mid (pH 6-8) 1.40 3.44 -35.53 2 5 1 48 299.435 4

Activity (Go SEA)

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