UCSF

ZINC22864906

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 22 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) 4.58 7.03 -41.76 3 3 1 40 307.502 7
Mid Mid (pH 6-8) 4.58 8.14 -35.76 3 3 1 37 307.502 7

Activity (Go SEA)

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