UCSF

ZINC16944953

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 31 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) 3.62 6.04 -18.14 1 8 0 98 442.493 6
Hi High (pH 8-9.5) 3.62 6.13 -65.27 0 8 -1 100 441.485 6

Activity (Go SEA)

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