UCSF

ZINC36787187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 0.89 7.07 -117.76 4 2 2 32 234.387 3
Hi High (pH 8-9.5) 0.89 5.96 -2.22 2 2 0 29 232.371 3
Mid Mid (pH 6-8) 0.89 6.75 -31.94 3 2 1 30 233.379 3
Mid Mid (pH 6-8) 0.89 5.31 -37.18 3 2 1 31 233.379 3

Activity (Go SEA)

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