UCSF

ZINC34696999

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 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) 2.15 6.02 -11.8 0 6 0 53 379.888 5
Lo Low (pH 4.5-6) 2.15 8.33 -42.38 1 6 1 54 380.896 5

Activity (Go SEA)

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