UCSF

ZINC12551833

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 21 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) 3.72 10.33 -13.31 1 3 0 42 282.387 5
Lo Low (pH 4.5-6) 3.72 10.11 -29.27 2 3 1 43 283.395 5

Activity (Go SEA)

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