UCSF

ZINC13130859

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 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) 3.35 8.63 -50.58 2 6 1 71 436.985 7
Hi High (pH 8-9.5) 3.35 6.38 -16.56 1 6 0 70 435.977 7

Activity (Go SEA)

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