UCSF

ZINC42170052

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.88 5.23 -33.95 2 4 1 40 268.425 5
Mid Mid (pH 6-8) 2.88 7.44 -89.52 3 4 2 41 269.433 5

Activity (Go SEA)

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