UCSF

ZINC06794770

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 30 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) 4.03 12.14 -44.56 2 6 0 84 404.466 8
Hi High (pH 8-9.5) 4.03 10.77 -55.63 1 6 -1 79 403.458 8

Activity (Go SEA)

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