UCSF

ZINC43448267

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) -0.01 3.62 -46.67 2 4 1 40 242.387 7
Hi High (pH 8-9.5) -0.01 4.65 -38.01 2 4 1 37 242.387 7
Mid Mid (pH 6-8) -0.01 5.94 -115.93 3 4 2 41 243.395 7

Activity (Go SEA)

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