UCSF

ZINC36874076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.78 6.88 -38.24 3 4 1 55 272.372 5
Hi High (pH 8-9.5) 2.78 5.24 -7.45 2 4 0 50 271.364 5
Lo Low (pH 4.5-6) 2.78 7.31 -110.2 4 4 2 56 273.38 5

Activity (Go SEA)

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