UCSF

ZINC31993284

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 0.76 3.86 -81.74 3 3 2 24 213.369 4
Hi High (pH 8-9.5) 0.76 4.96 -98.2 3 3 2 21 213.369 4
Hi High (pH 8-9.5) 0.76 2.49 -34.62 2 3 1 20 212.361 4
Mid Mid (pH 6-8) 0.76 6.41 -174.41 4 3 3 25 214.377 4

Activity (Go SEA)

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