UCSF

ZINC44649012

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.11 3.92 -44.08 3 5 1 64 251.354 5
Hi High (pH 8-9.5) 0.11 2.56 -12.46 2 5 0 59 250.346 5

Activity (Go SEA)

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