UCSF

ZINC42470180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.46 7.77 -110.16 4 2 2 32 266.454 4
Mid Mid (pH 6-8) 2.46 7.44 -29.22 3 2 1 30 265.446 4
Mid Mid (pH 6-8) 2.46 6.17 -34.63 3 2 1 31 265.446 4

Activity (Go SEA)

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