UCSF

ZINC46034711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 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) 2.77 5.9 -43.48 2 4 1 51 297.444 5
Hi High (pH 8-9.5) 2.77 3.68 -8.67 1 4 0 49 296.436 5

Activity (Go SEA)

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