UCSF

ZINC36239923

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 0.98 4.36 -44.93 2 4 1 37 249.313 2
Hi High (pH 8-9.5) 0.98 3.02 -6.49 1 4 0 33 248.305 2
Mid Mid (pH 6-8) 0.98 4.81 -82.98 3 4 2 38 250.321 2

Activity (Go SEA)

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