UCSF

ZINC43453263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.14 4.22 -45.32 2 4 1 40 242.387 7
Mid Mid (pH 6-8) 0.14 6.45 -119.39 3 4 2 41 243.395 7
Mid Mid (pH 6-8) 0.14 5.11 -38.72 2 4 1 37 242.387 7

Activity (Go SEA)

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