UCSF

ZINC35823144

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 18 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) -0.92 5 -85.2 3 6 0 89 255.318 2
Hi High (pH 8-9.5) -0.92 3.69 -59.46 2 6 -1 84 254.31 2

Activity (Go SEA)

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