UCSF

ZINC19361797

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 23 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) 3.96 9.65 -34.1 1 3 1 17 380.35 4
Hi High (pH 8-9.5) 3.96 7.37 -3.17 0 3 0 16 379.342 4

Activity (Go SEA)

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