UCSF

ZINC32127768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.41 5.03 -45.18 3 4 1 55 282.404 8
Hi High (pH 8-9.5) 2.41 3.54 -8.76 2 4 0 51 281.396 8

Activity (Go SEA)

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