UCSF

ZINC67714024

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 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) 2.18 11.94 -146.07 4 4 3 40 347.571 4
Hi High (pH 8-9.5) 2.18 11.46 -100.56 3 4 2 39 346.563 4

Activity (Go SEA)

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