UCSF

ZINC36327493

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 2.53 4.02 -9.95 1 4 0 50 249.31 2
Hi High (pH 8-9.5) 2.53 4.98 -55.22 0 4 -1 53 248.302 2

Activity (Go SEA)

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