UCSF

ZINC43260487

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 0.86 4.85 -37.34 3 4 1 51 347.302 4
Hi High (pH 8-9.5) 0.86 3.59 -9.53 2 4 0 50 346.294 4
Mid Mid (pH 6-8) 0.86 3.32 -56.02 3 4 1 51 347.302 4
Lo Low (pH 4.5-6) 0.86 5.28 -125.71 4 4 2 52 348.31 4

Activity (Go SEA)

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