UCSF

ZINC13671322

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 No

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) 5.13 9.72 -9.65 2 2 0 39 292.407 1
Lo Low (pH 4.5-6) 5.13 9.91 -30.77 3 2 1 40 293.415 1

Activity (Go SEA)

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