UCSF

ZINC55668860

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 20 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) 2.63 9.97 -46.84 1 3 1 25 273.4 4
Mid Mid (pH 6-8) 2.63 7.77 -8.48 0 3 0 24 272.392 4

Activity (Go SEA)

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