UCSF

ZINC58620628

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 17 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) 2.79 8.37 -6.24 0 4 0 42 236.315 7
Lo Low (pH 4.5-6) 2.79 8.72 -32.15 1 4 1 44 237.323 7

Activity (Go SEA)

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