UCSF

ZINC41459567

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 29 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 9.9 -52.75 2 6 1 57 397.474 4
Mid Mid (pH 6-8) 2.25 7.54 -18.84 1 6 0 56 396.466 4

Activity (Go SEA)

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