UCSF

ZINC20055278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 2.96 6.04 -40.31 3 3 1 46 239.383 5
Hi High (pH 8-9.5) 2.96 4.97 -7.96 2 3 0 41 238.375 5

Activity (Go SEA)

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