UCSF

ZINC43253740

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) 2.61 5.21 -33.84 3 4 1 49 335.921 11
Hi High (pH 8-9.5) 2.61 3.45 -3.28 2 4 0 48 334.913 11
Mid Mid (pH 6-8) 2.61 4.16 -40.78 3 4 1 49 335.921 11
Mid Mid (pH 6-8) 2.61 5.52 -121.53 4 4 2 51 336.929 11

Activity (Go SEA)

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