UCSF

ZINC33010810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 33 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) 5.12 14.67 -15.72 2 5 0 67 434.543 5

Activity (Go SEA)

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