UCSF

ZINC22773084

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 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) 2.27 8.86 -44.62 1 6 1 46 382.484 6
Mid Mid (pH 6-8) 2.27 6.59 -11.57 0 6 0 45 381.476 6

Activity (Go SEA)

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