UCSF

ZINC21512905

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 1.94 6.85 -29.2 1 4 0 48 262.353 5
Hi High (pH 8-9.5) 1.94 4.93 -48.94 0 4 -1 47 261.345 5

Activity (Go SEA)

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