UCSF

ZINC37875683

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 0.32 4.56 -170.44 5 4 3 46 234.408 8
Hi High (pH 8-9.5) 0.32 0.86 -33.89 3 4 1 40 232.392 8
Mid Mid (pH 6-8) 0.32 5.09 -95.33 4 4 2 49 233.4 8
Mid Mid (pH 6-8) 0.32 3.31 -76.24 4 4 2 41 233.4 8

Activity (Go SEA)

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