UCSF

ZINC43896569

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 4.34 11.16 -114.08 3 2 2 21 276.468 7
Hi High (pH 8-9.5) 4.34 8.61 -1.73 1 2 0 15 274.452 7
Mid Mid (pH 6-8) 4.34 10.07 -34.09 2 2 1 16 275.46 7
Mid Mid (pH 6-8) 4.34 9.56 -31.96 2 2 1 20 275.46 7

Activity (Go SEA)

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