UCSF

ZINC36474086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 13 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) 1.30 2 -58.76 2 5 -1 89 177.139 1
Mid Mid (pH 6-8) 1.30 1.75 -49.23 2 5 -1 89 177.139 1

Activity (Go SEA)

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