UCSF

ZINC06617215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 15 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) 3.77 3.78 -3.09 0 2 0 22 244.121 1
Lo Low (pH 4.5-6) 3.77 5.16 -28.02 1 2 1 23 245.129 1

Activity (Go SEA)

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