UCSF

ZINC52783538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 16 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) 1.93 3.43 -45.98 2 4 1 46 218.28 1
Hi High (pH 8-9.5) 1.93 2.19 -7.83 1 4 0 41 217.272 1

Activity (Go SEA)

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