UCSF

ZINC09714686

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 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) 4.97 -2.5 -15.12 2 7 0 87 451.567 9

Activity (Go SEA)

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