UCSF

ZINC14887639

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 23 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) 3.52 7.33 -13.14 1 4 0 51 310.397 5
Lo Low (pH 4.5-6) 3.52 7.68 -33.9 2 4 1 52 311.405 5

Activity (Go SEA)

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