UCSF

ZINC36273210

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 3.00 8.05 -40.54 4 5 1 68 351.474 5
Hi High (pH 8-9.5) 3.00 6.81 -12.55 3 5 0 67 350.466 5
Mid Mid (pH 6-8) 3.00 8.39 -87.4 5 5 2 69 352.482 5

Activity (Go SEA)

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