UCSF

ZINC05941333

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 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) 0.21 2.66 -11.67 3 6 0 90 207.237 4
Lo Low (pH 4.5-6) 0.21 2.92 -35.49 4 6 1 91 208.245 4
Lo Low (pH 4.5-6) 0.21 -1.45 -34.42 4 6 1 91 208.245 4

Activity (Go SEA)

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