UCSF

ZINC32004835

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 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) 3.90 10.96 -76.86 1 5 0 59 338.407 6
Hi High (pH 8-9.5) 3.90 8.37 -50.92 0 5 -1 58 337.399 6

Activity (Go SEA)

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