UCSF

ZINC32004262

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 4.21 7.51 -38.19 2 3 1 34 292.786 5
Hi High (pH 8-9.5) 4.21 4.91 -6.26 1 3 0 33 291.778 5
Hi High (pH 8-9.5) 4.21 5.57 -42.42 0 3 -1 36 290.77 5
Hi High (pH 8-9.5) 4.21 8.17 -67.56 1 3 0 37 291.778 5

Activity (Go SEA)

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