UCSF

ZINC34667861

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 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) 3.60 8.69 -10.19 1 5 0 48 370.472 6
Mid Mid (pH 6-8) 3.60 10.92 -49.2 2 5 1 50 371.48 6
Mid Mid (pH 6-8) 3.60 9.02 -36.38 2 5 1 50 371.48 6
Lo Low (pH 4.5-6) 3.60 11.25 -108.46 3 5 2 51 372.488 6

Activity (Go SEA)

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