UCSF

ZINC42915263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.14 5.85 -119.47 4 3 2 41 270.392 7
Hi High (pH 8-9.5) 2.14 3.4 -43.71 3 3 1 40 269.384 7
Mid Mid (pH 6-8) 2.14 5.55 -32.76 3 3 1 40 269.384 7

Activity (Go SEA)

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