UCSF

ZINC41310866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 22 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) 2.84 6.85 -8.63 0 4 0 33 308.466 4
Mid Mid (pH 6-8) 2.84 8.85 -45.27 1 4 1 34 309.474 4

Activity (Go SEA)

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