UCSF

ZINC29541273

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 24 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 8.87 -54.73 2 5 1 54 336.431 7
Hi High (pH 8-9.5) 3.34 6.65 -14.75 1 5 0 53 335.423 7

Activity (Go SEA)

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