UCSF

ZINC13824851

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 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) 2.77 10.83 -47.95 1 6 1 55 372.88 6
Lo Low (pH 4.5-6) 2.77 11.09 -93.53 2 6 2 57 373.888 6

Activity (Go SEA)

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