UCSF

ZINC57825478

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 20 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) 1.44 3.75 -13.43 2 5 0 71 272.304 4
Lo Low (pH 4.5-6) 1.44 4.19 -42.89 3 5 1 73 273.312 4

Activity (Go SEA)

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