UCSF

ZINC39908688

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.34 5.29 -75.4 1 8 -1 120 489.558 6
Mid Mid (pH 6-8) 3.34 5.76 -164.24 0 8 -2 122 488.55 6
Lo Low (pH 4.5-6) 3.34 5.8 -56.48 2 8 0 121 490.566 6

Activity (Go SEA)

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