UCSF

ZINC31994464

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 0.49 3.27 -84.23 3 3 2 24 199.342 3
Hi High (pH 8-9.5) 0.49 1.69 -34.01 2 3 1 20 198.334 3
Hi High (pH 8-9.5) 0.49 4.18 -107.45 3 3 2 21 199.342 3
Hi High (pH 8-9.5) 0.49 0.75 -41.14 2 3 1 23 198.334 3
Lo Low (pH 4.5-6) 0.49 5.74 -182.98 4 3 3 25 200.35 3

Activity (Go SEA)

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