UCSF

ZINC16677079

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 30 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) 3.61 4.64 -23.73 1 8 0 110 452.554 6
Hi High (pH 8-9.5) 3.61 4.72 -66.74 0 8 -1 112 451.546 6

Activity (Go SEA)

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