UCSF

ZINC21819160

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 1.87 2.7 -44.26 2 5 -1 87 298.294 3
Mid Mid (pH 6-8) 2.05 3.18 -24.72 3 5 0 88 299.302 2

Activity (Go SEA)

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