UCSF

ZINC37801172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.91 4.78 -41.74 3 4 1 51 250.366 5
Hi High (pH 8-9.5) 0.91 4.47 -8.01 2 4 0 50 249.358 5
Lo Low (pH 4.5-6) 0.91 5.55 -66.66 4 4 0 52 251.374 5

Activity (Go SEA)

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