UCSF

ZINC39850443

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 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) 6.37 13.22 -11.57 0 7 0 79 490.581 9

Activity (Go SEA)

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