UCSF

ZINC42171358

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.82 3.44 -85.07 4 5 2 53 284.448 5
Hi High (pH 8-9.5) 1.82 1.31 -33.26 3 5 1 52 283.44 5
Mid Mid (pH 6-8) 1.82 3.65 -79.59 4 5 2 53 284.448 5

Activity (Go SEA)

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