UCSF

ZINC32087763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 3.05 4.26 -55.82 4 4 1 60 327.876 6
Hi High (pH 8-9.5) 3.05 5.18 -79.42 3 4 0 63 326.868 6
Hi High (pH 8-9.5) 3.05 6.79 -49.55 3 4 0 63 326.868 6
Mid Mid (pH 6-8) 3.05 6.89 -131.82 4 4 1 64 327.876 6

Activity (Go SEA)

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