UCSF

ZINC41530807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 2.25 6.63 -42.9 1 4 1 42 295.428 3
Hi High (pH 8-9.5) 2.25 4.25 -8.26 0 4 0 41 294.42 3

Activity (Go SEA)

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