UCSF

ZINC36789477

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) 2.07 6.96 -37.53 2 4 1 38 239.387 6
Hi High (pH 8-9.5) 2.07 5.45 -23.19 2 4 1 34 239.387 6
Hi High (pH 8-9.5) 2.07 5.32 -4.96 1 4 0 33 238.379 6
Mid Mid (pH 6-8) 2.07 7.09 -89.3 3 4 2 39 240.395 6

Activity (Go SEA)

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