UCSF

ZINC43252688

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 3.88 9.25 -114.74 4 2 2 32 328.884 6
Hi High (pH 8-9.5) 3.88 6.59 -4.22 2 2 0 29 326.868 6
Mid Mid (pH 6-8) 3.88 8.85 -30.25 3 2 1 30 327.876 6
Mid Mid (pH 6-8) 3.88 6.91 -47.39 3 2 1 31 327.876 6

Activity (Go SEA)

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