UCSF

ZINC32182502

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.87 5.73 -48.43 3 4 1 55 300.378 6
Hi High (pH 8-9.5) 1.87 4.23 -8.76 2 4 0 51 299.37 6

Activity (Go SEA)

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