UCSF

ZINC04505691

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 27 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) 4.72 -0.87 -12.22 1 5 0 58 405.281 1

Activity (Go SEA)

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