UCSF

ZINC10151855

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2007 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) 2.71 7.75 -5.97 3 4 0 68 222.336 4
Lo Low (pH 4.5-6) 2.71 8.32 -30.72 4 4 1 69 223.344 4

Activity (Go SEA)

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