UCSF

ZINC52570290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 16 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) 0.80 4.3 -39.09 2 4 1 38 225.36 7
Hi High (pH 8-9.5) 0.80 2.56 -5.31 1 4 0 33 224.352 7
Lo Low (pH 4.5-6) 0.80 6.5 -115.45 3 4 2 39 226.368 7

Activity (Go SEA)

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