UCSF

ZINC25412932

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 27 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) 3.57 7.62 -53.74 2 6 1 71 429.349 5
Hi High (pH 8-9.5) 3.57 5.39 -17.9 1 6 0 70 428.341 5

Activity (Go SEA)

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