UCSF

ZINC62274341

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 23 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) 2.96 8.11 -8.01 0 4 0 33 316.445 6
Mid Mid (pH 6-8) 2.96 10.32 -40.66 1 4 1 34 317.453 6

Activity (Go SEA)

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