UCSF

ZINC39390774

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 15 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) 1.89 6.58 -8.08 0 3 0 43 202.209 2
Hi High (pH 8-9.5) 3.00 5.36 -44.75 0 3 -1 49 201.201 2

Activity (Go SEA)

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