UCSF

ZINC34961480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 No

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) 1.58 2.49 -27.27 4 3 1 58 179.243 2
Lo Low (pH 4.5-6) 1.45 2.37 -31.36 4 3 1 60 179.243 1
Lo Low (pH 4.5-6) 1.45 2.5 -27.34 4 3 1 60 179.243 1

Activity (Go SEA)

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