UCSF

ZINC22921724

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.93 10.91 -41.64 1 5 1 37 442.63 8
Hi High (pH 8-9.5) 3.93 8.67 -10.83 0 5 0 36 441.622 8
Mid Mid (pH 6-8) 3.93 11.03 -42.68 1 5 1 37 442.63 8

Activity (Go SEA)

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