UCSF

ZINC41315610

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) 3.80 10.25 -8.77 0 3 0 24 340.442 4
Mid Mid (pH 6-8) 3.80 11.82 -51.55 1 3 1 25 341.45 4

Activity (Go SEA)

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