UCSF

ZINC27554767

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 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) 2.42 6.89 -13.05 1 5 0 64 348.402 2
Lo Low (pH 4.5-6) 2.42 7.33 -49.25 2 5 1 66 349.41 2

Activity (Go SEA)

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