UCSF

ZINC12140804

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 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) 4.34 0.7 -55.14 1 5 1 55 447.378 6

Activity (Go SEA)

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