UCSF

ZINC41680478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.44 9.13 -171.96 4 3 3 25 258.474 6
Mid Mid (pH 6-8) 2.44 8.33 -89.88 3 3 2 21 257.466 6
Mid Mid (pH 6-8) 2.44 7.75 -76.55 3 3 2 24 257.466 6

Activity (Go SEA)

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