UCSF

ZINC26007164

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 33 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) 6.06 10.52 -49.51 3 5 1 71 462.591 9
Hi High (pH 8-9.5) 6.06 8.23 -17.05 2 5 0 70 461.583 9

Activity (Go SEA)

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