UCSF

ZINC34674433

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 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) 1.46 4.94 -44.33 2 4 1 58 235.307 6
Hi High (pH 8-9.5) 1.46 2.56 -11.97 1 4 0 56 234.299 6

Activity (Go SEA)

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