UCSF

ZINC32578131

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 20 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) -0.09 4.05 -17.17 1 6 0 66 276.34 3
Lo Low (pH 4.5-6) -0.09 4.49 -49.26 2 6 1 67 277.348 3

Activity (Go SEA)

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