UCSF

ZINC22073431

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 12 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) 1.61 4.14 -35.06 2 2 1 20 171.308 5
Mid Mid (pH 6-8) 1.61 6.61 -110.97 3 2 2 21 172.316 5

Activity (Go SEA)

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