UCSF

ZINC33983430

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 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) 0.79 9.75 -101.45 3 6 -1 117 366.393 5

Activity (Go SEA)

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