UCSF

ZINC35422553

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) -0.87 1.35 -63.13 3 6 0 95 218.253 9
Hi High (pH 8-9.5) -0.87 0 -51.98 2 6 -1 90 217.245 9

Activity (Go SEA)

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