UCSF

ZINC41226426

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 15 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) 2.54 9.39 -95.75 2 2 2 9 214.397 6
Hi High (pH 8-9.5) 2.54 7.13 -31.05 1 2 1 8 213.389 6
Mid Mid (pH 6-8) 2.54 7.23 -32.59 1 2 1 8 213.389 6

Activity (Go SEA)

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