UCSF

ZINC54348301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 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) 1.52 4.29 -43.52 2 4 1 38 235.307 1
Hi High (pH 8-9.5) 1.52 3.04 -6.05 1 4 0 34 234.299 1

Activity (Go SEA)

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