UCSF

ZINC16693302

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 26 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) 4.80 6.56 -13.96 1 5 0 68 344.37 3
Lo Low (pH 4.5-6) 4.80 6.86 -31.8 2 5 1 69 345.378 3

Activity (Go SEA)

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