UCSF

ZINC35721079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 16 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) 1.60 6.3 -58.94 1 4 -1 69 226.296 4
Lo Low (pH 4.5-6) 1.60 4.31 -13.29 2 4 0 66 227.304 4

Activity (Go SEA)

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