UCSF

ZINC27617100

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 45 No

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) 8.56 20.5 -201.37 8 6 4 85 629.031 32
Hi High (pH 8-9.5) 8.56 19.11 -142.36 7 6 3 80 628.023 32

Activity (Go SEA)

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