UCSF

ZINC29816779

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.79 4.2 -18.38 3 5 0 78 318.76 3
Hi High (pH 8-9.5) 2.79 4.98 -46.95 2 5 -1 81 317.752 3

Activity (Go SEA)

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