UCSF

ZINC23654620

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 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) 5.56 8.2 -13.13 1 6 0 81 456.98 6
Hi High (pH 8-9.5) 5.75 7.13 -39.19 0 6 -1 87 455.972 6

Activity (Go SEA)

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