UCSF

ZINC31933169

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 3.46 9.87 -42.09 1 5 1 40 326.42 5
Mid Mid (pH 6-8) 3.46 8.26 -13.43 0 5 0 39 325.412 5
Lo Low (pH 4.5-6) 3.46 10.3 -84.86 2 5 2 41 327.428 5

Activity (Go SEA)

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