UCSF

ZINC42914880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.31 6.8 -125.51 4 3 2 41 282.403 5
Hi High (pH 8-9.5) 1.31 6.51 -38.71 3 3 1 40 281.395 5
Mid Mid (pH 6-8) 1.31 5.33 -47.89 3 3 1 40 281.395 5

Activity (Go SEA)

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