UCSF

ZINC23636369

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 18 No

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) 1.96 3.63 -22.89 3 5 0 78 250.298 7
Hi High (pH 8-9.5) 1.96 4.84 -64.09 2 5 -1 81 249.29 7

Activity (Go SEA)

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