UCSF

ZINC20130203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 3.98 10.16 -10.15 0 8 0 87 488.635 6

Activity (Go SEA)

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