UCSF

ZINC41345974

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 26 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) 3.34 10.85 -52.31 1 4 1 34 357.449 6
Mid Mid (pH 6-8) 3.34 8.65 -10.14 0 4 0 33 356.441 6

Activity (Go SEA)

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