UCSF

ZINC33106325

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 31 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) 3.06 8.35 -23 2 6 0 84 410.477 5
Lo Low (pH 4.5-6) 3.06 8.79 -64.67 3 6 1 85 411.485 5

Activity (Go SEA)

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