UCSF

ZINC27737559

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 17 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) -4.81 -3.44 -192.17 10 7 2 152 248.327 9
Hi High (pH 8-9.5) -4.81 -3.74 -133.39 9 7 1 151 247.319 9

Activity (Go SEA)

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