UCSF

ZINC37461367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.14 6.05 -49.22 1 4 -1 69 238.65 3
Lo Low (pH 4.5-6) 2.14 4.47 -13.39 2 4 0 66 239.658 3

Activity (Go SEA)

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