UCSF

ZINC39240065

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 15 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) 3.00 6.33 -49.88 1 3 -1 52 200.217 2
Lo Low (pH 4.5-6) 3.00 4.35 -6.58 2 3 0 49 201.225 2

Activity (Go SEA)

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