UCSF

ZINC20723320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 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) 2.51 6.43 -12.74 1 7 0 80 388.427 3
Ref Reference (pH 7) 2.33 8.92 -10.81 1 7 0 76 388.427 3

Activity (Go SEA)

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