UCSF

ZINC27342159

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 17 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) -0.18 4.37 -8.95 2 7 0 80 238.295 3
Lo Low (pH 4.5-6) -0.18 4.64 -30.05 3 7 1 82 239.303 3
Lo Low (pH 4.5-6) -0.18 6.68 -35.97 3 7 1 82 239.303 3

Activity (Go SEA)

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