UCSF

ZINC36222597

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 0.70 3.89 -41.68 2 5 0 79 192.174 2
Mid Mid (pH 6-8) 0.70 3.59 -64.37 1 5 -1 78 191.166 2

Activity (Go SEA)

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