UCSF

ZINC32159648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 1.20 5.63 -85.44 3 5 2 43 297.443 10
Hi High (pH 8-9.5) 1.20 4.22 -40.24 2 5 1 38 296.435 10
Hi High (pH 8-9.5) 1.20 3.19 -47.55 2 5 1 42 296.435 10
Mid Mid (pH 6-8) 1.20 6.91 -76.74 3 5 2 39 297.443 10

Activity (Go SEA)

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