UCSF

ZINC06816505

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2006 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) 3.33 8.49 -8.59 0 2 0 26 232.286 2
Lo Low (pH 4.5-6) 3.33 8.72 -34.19 1 2 1 27 233.294 2

Activity (Go SEA)

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