UCSF

ZINC39132617

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) 2.09 5.71 -25.92 2 2 1 30 153.249 3
Hi High (pH 8-9.5) 2.09 5.29 -6.48 1 2 0 29 152.241 3

Activity (Go SEA)

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