UCSF

ZINC32084107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 25 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) 3.94 11.25 -22.48 1 4 0 46 329.403 4
Lo Low (pH 4.5-6) 3.94 11.69 -35.92 2 4 1 48 330.411 4

Activity (Go SEA)

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