UCSF

ZINC06812781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 No

Download: MOL2 SDF SMILES Flexibase

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) 1.63 8.88 -70.91 1 6 0 78 403.479 6
Hi High (pH 8-9.5) 1.63 6.33 -57.15 0 6 -1 77 402.471 6
Mid Mid (pH 6-8) 2.08 0.63 -44.7 2 6 1 74 404.487 5

Activity (Go SEA)

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