UCSF

ZINC44421980

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 12 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) 0.94 -0.43 -6.76 3 3 0 55 171.171 3

Activity (Go SEA)

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