UCSF

ZINC29613338

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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 5.91 -11.29 2 3 0 49 287.281 3
Hi High (pH 8-9.5) 3.85 6.76 -59.24 1 3 -1 52 286.273 3

Activity (Go SEA)

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