UCSF

ZINC36077286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 19 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) 0.52 2.36 -43.17 3 6 1 79 287.409 5
Hi High (pH 8-9.5) 0.52 2.7 -31.17 2 6 0 81 286.401 5
Hi High (pH 8-9.5) 0.52 0.52 -8.81 2 6 0 78 286.401 5

Activity (Go SEA)

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