UCSF

ZINC36874268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 2.28 6.84 -49.76 3 3 1 45 280.754 2
Lo Low (pH 4.5-6) 2.28 7.27 -105.76 4 3 2 47 281.762 2
Lo Low (pH 4.5-6) 2.28 7.25 -105.51 4 3 2 47 281.762 2

Activity (Go SEA)

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