UCSF

ZINC69659258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 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) 2.69 5 -45.86 2 3 1 29 287.786 4
Hi High (pH 8-9.5) 2.69 3.9 -3.64 1 3 0 24 286.778 4
Lo Low (pH 4.5-6) 2.69 7.42 -111.81 3 3 2 30 288.794 4
Lo Low (pH 4.5-6) 2.69 6.32 -38.73 2 3 1 26 287.786 4

Activity (Go SEA)

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