UCSF

ZINC39032226

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 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) 4.00 9.3 -48.76 1 4 -1 69 388.225 9
Lo Low (pH 4.5-6) 4.00 7.33 -10.85 2 4 0 66 389.233 9

Activity (Go SEA)

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