UCSF

ZINC21630173

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 3.96 8.42 -59.08 2 6 1 59 400.453 7
Mid Mid (pH 6-8) 3.96 6.05 -13.62 1 6 0 57 399.445 7

Activity (Go SEA)

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