UCSF

ZINC36880342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.98 2.09 -86.7 4 4 0 80 288.269 2
Lo Low (pH 4.5-6) 0.98 1.33 -59.88 5 4 1 77 289.277 2

Activity (Go SEA)

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