UCSF

ZINC42902446

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 0.86 3.21 -110.25 5 3 2 52 236.359 6
Mid Mid (pH 6-8) 0.86 1.45 -40.15 4 3 1 51 235.351 6
Mid Mid (pH 6-8) 0.86 2.89 -28.18 4 3 1 51 235.351 6

Activity (Go SEA)

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