UCSF

ZINC32159625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 4.91 11.22 -43.45 2 2 1 26 296.434 6
Hi High (pH 8-9.5) 4.91 9.96 -4.41 1 2 0 21 295.426 6

Activity (Go SEA)

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