UCSF

ZINC62259413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 25 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) 3.85 10.4 -11.56 0 3 0 24 340.442 5
Mid Mid (pH 6-8) 3.85 12.41 -47.93 1 3 1 25 341.45 5

Activity (Go SEA)

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