UCSF

ZINC42906641

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) 0.91 3.8 -120.56 5 3 2 52 236.359 6
Mid Mid (pH 6-8) 0.91 1.11 -43.33 4 3 1 51 235.351 6
Mid Mid (pH 6-8) 0.91 4.12 -26.8 4 3 1 51 235.351 6

Activity (Go SEA)

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