UCSF

ZINC32072848

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 3.38 6.31 -38.46 2 4 1 51 340.296 7
Hi High (pH 8-9.5) 3.38 4.12 -9.39 1 4 0 49 339.288 7
Hi High (pH 8-9.5) 3.38 6.01 -30.57 1 4 0 53 339.288 7

Activity (Go SEA)

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