UCSF

ZINC35629057

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) 2.84 5.19 -35.47 3 3 1 37 249.378 3
Lo Low (pH 4.5-6) 2.84 6.06 -104.23 4 3 2 41 250.386 3

Activity (Go SEA)

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