UCSF

ZINC32252081

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 14 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) 0.82 6.03 -47.73 2 2 1 34 190.266 1
Hi High (pH 8-9.5) 0.82 4.9 -4.81 1 2 0 29 189.258 1

Activity (Go SEA)

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