UCSF

ZINC48428900

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 22 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) 0.67 5.93 -47.36 2 6 1 63 312.434 7
Hi High (pH 8-9.5) 0.67 4.02 -17.23 1 6 0 62 311.426 7

Activity (Go SEA)

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