UCSF

ZINC06664844

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 24 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) 2.28 6.31 -18.71 2 5 0 79 324.38 3
Hi High (pH 8-9.5) 2.74 5.63 -55.16 1 5 -1 82 323.372 3

Activity (Go SEA)

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