UCSF

ZINC50051836

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) 1.69 8.09 -33.16 1 4 1 44 237.323 8
Mid Mid (pH 6-8) 1.69 5.71 -10.32 0 4 0 42 236.315 8
Lo Low (pH 4.5-6) 1.69 6.47 -32.23 1 4 1 44 237.323 8

Activity (Go SEA)

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