UCSF

ZINC41057321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.54 6.99 -11.33 1 4 0 51 292.338 3
Lo Low (pH 4.5-6) 3.54 7.41 -32.17 2 4 1 52 293.346 3
Lo Low (pH 4.5-6) 3.72 7.44 -30.23 2 4 1 56 293.346 2

Activity (Go SEA)

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