UCSF

ZINC43249005

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.80 4.14 -115.71 6 4 2 75 299.484 8
Hi High (pH 8-9.5) 1.80 2.88 -43.44 5 4 1 74 298.476 8
Hi High (pH 8-9.5) 1.80 2.45 -5.04 4 4 0 72 297.468 8
Mid Mid (pH 6-8) 1.80 3.94 -27.11 5 4 1 74 298.476 8

Activity (Go SEA)

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