UCSF

ZINC42463046

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 No

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) 0.89 2.86 -39.99 2 4 1 40 258.411 2
Mid Mid (pH 6-8) 0.89 3.74 -43.47 2 4 1 37 258.411 2
Mid Mid (pH 6-8) 0.89 4.92 -96.93 3 4 2 41 259.419 2
Mid Mid (pH 6-8) 0.89 1.69 -8.72 1 4 0 36 257.403 2

Activity (Go SEA)

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