UCSF

ZINC18217589

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 19 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) -0.28 6.25 -38.01 3 5 0 85 261.256 2
Hi High (pH 8-9.5) -0.28 5.27 -47.54 2 5 -1 81 260.248 2
Mid Mid (pH 6-8) -0.28 5.8 -74.54 4 5 1 87 262.264 2
Lo Low (pH 4.5-6) -0.28 5.71 -43.88 3 5 0 82 261.256 2

Activity (Go SEA)

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