UCSF

ZINC54372042

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 13 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) 0.54 1.52 -38.12 2 3 1 33 198.315 2
Hi High (pH 8-9.5) 0.54 0.18 -4.38 1 3 0 28 197.307 2

Activity (Go SEA)

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