UCSF

ZINC16123093

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 24 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) 3.08 2.64 -13.77 2 6 0 92 388.898 6
Hi High (pH 8-9.5) 3.08 2.75 -43.71 1 6 -1 94 387.89 6

Activity (Go SEA)

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