UCSF

ZINC22586808

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 2.73 8.21 -49.93 1 6 1 56 379.436 4
Mid Mid (pH 6-8) 2.73 8.15 -46.16 1 6 1 56 379.436 4
Mid Mid (pH 6-8) 2.73 5.83 -15.98 0 6 0 55 378.428 4

Activity (Go SEA)

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