UCSF

ZINC38587842

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 16 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) -2.12 5.04 -87.52 3 5 -1 108 220.204 3
Lo Low (pH 4.5-6) -2.12 3.06 -44.6 4 5 0 105 221.212 3

Activity (Go SEA)

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