UCSF

ZINC32202193

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) 4.72 7.54 -47.56 3 3 1 46 306.47 7
Hi High (pH 8-9.5) 4.72 6.27 -6.3 2 3 0 41 305.462 7

Activity (Go SEA)

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