UCSF

ZINC43798868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 21 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) 1.98 7.26 -61.61 2 4 1 46 330.235 4
Hi High (pH 8-9.5) 1.98 5.9 -11.42 1 4 0 42 329.227 4

Activity (Go SEA)

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