UCSF

ZINC32118789

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.52 6.41 -46.4 3 3 1 46 272.368 6
Hi High (pH 8-9.5) 3.52 7.19 -68.4 2 3 0 49 271.36 6
Hi High (pH 8-9.5) 3.52 4.99 -8.06 2 3 0 41 271.36 6

Activity (Go SEA)

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