UCSF

ZINC52651106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 21 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) 5.07 10.35 -40.05 2 2 1 26 284.423 7
Hi High (pH 8-9.5) 5.07 9.15 -3.56 1 2 0 21 283.415 7

Activity (Go SEA)

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