UCSF

ZINC43416293

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.74 5.33 -47.82 3 4 1 68 242.387 9
Mid Mid (pH 6-8) 0.74 3.47 -41.87 3 4 1 64 242.387 9
Mid Mid (pH 6-8) 0.74 5.27 -115.44 4 4 2 65 243.395 9

Activity (Go SEA)

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