UCSF

ZINC42459328

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.34 1.99 -8.4 3 5 0 71 223.276 5
Lo Low (pH 4.5-6) 0.34 1.82 -28.23 4 5 1 73 224.284 5
Lo Low (pH 4.5-6) 0.34 2.1 -22.38 4 5 0 72 224.284 5
Lo Low (pH 4.5-6) 0.34 1.73 -30.71 4 5 1 73 224.284 5
Lo Low (pH 4.5-6) 0.34 2.33 -23.49 4 5 0 72 224.284 5

Activity (Go SEA)

Rings

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