UCSF

ZINC20733265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 29 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) 3.11 8.19 -13.57 1 6 0 71 402.841 2
Ref Reference (pH 7) 2.92 10.59 -11.98 1 6 0 67 402.841 2

Activity (Go SEA)

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