UCSF

ZINC38599400

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 12 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) -3.49 -6.09 -12.88 3 6 0 96 176.124 0

Activity (Go SEA)

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