UCSF

ZINC54628772

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 20 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) 4.13 8.11 -34.64 2 2 1 20 293.5 6
Lo Low (pH 4.5-6) 4.13 10.27 -98.22 3 2 2 21 294.508 6

Activity (Go SEA)

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