UCSF

ZINC48365073

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 25 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) 0.95 8.9 -34.19 3 7 1 92 345.423 5
Hi High (pH 8-9.5) 0.95 6.82 -10.78 2 7 0 90 344.415 5

Activity (Go SEA)

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