UCSF

ZINC36170720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.88 2.71 -122.02 4 4 2 39 284.492 4
Hi High (pH 8-9.5) 0.88 2.54 -33.15 3 4 1 37 283.484 4
Mid Mid (pH 6-8) 0.88 5.43 -179.76 5 4 3 40 285.5 4
Mid Mid (pH 6-8) 0.88 3.24 -105.8 4 4 2 39 284.492 4

Activity (Go SEA)

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