UCSF

ZINC31996405

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 Yes

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) 2.29 5.92 -40.61 2 2 1 20 219.352 4
Lo Low (pH 4.5-6) 2.29 6.5 -34.48 2 2 1 16 219.352 4
Lo Low (pH 4.5-6) 2.29 7.9 -119.03 3 2 2 21 220.36 4

Activity (Go SEA)

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