UCSF

ZINC13056309

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2008 29 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) 4.02 8.83 -54.38 2 6 1 71 416.567 6
Hi High (pH 8-9.5) 4.02 6.59 -16.56 1 6 0 70 415.559 6

Activity (Go SEA)

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