UCSF

ZINC35721155

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 1.19 7.85 -74.44 2 5 0 74 278.352 7
Lo Low (pH 4.5-6) 1.19 5.67 -48.58 3 5 1 71 279.36 7

Activity (Go SEA)

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