UCSF

ZINC30278817

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 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) 1.52 5.69 -44.27 3 5 1 63 282.408 6
Hi High (pH 8-9.5) 1.52 3.48 -13.98 2 5 0 61 281.4 6

Activity (Go SEA)

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