UCSF

ZINC49547244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 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) 3.38 7.76 -18.38 1 8 0 106 416.434 6
Ref Reference (pH 7) 2.45 8.23 -19.27 1 8 0 103 416.434 7

Activity (Go SEA)

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