UCSF

ZINC19867291

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 2.35 6.61 -48.97 1 4 -1 76 231.275 7
Lo Low (pH 4.5-6) 2.35 5.49 -12.62 2 4 0 73 232.283 7

Activity (Go SEA)

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