UCSF

ZINC21066147

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 0.63 3.56 -28.09 2 9 0 121 462.553 7
Hi High (pH 8-9.5) 1.09 2.57 -61.47 1 9 -1 125 461.545 7

Activity (Go SEA)

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