UCSF

ZINC28530708

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 27 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) 3.96 6.7 -13.13 1 6 0 68 363.417 4
Lo Low (pH 4.5-6) 3.96 7 -33.39 2 6 1 69 364.425 4
Lo Low (pH 4.5-6) 3.96 6.88 -34.39 2 6 1 69 364.425 4

Activity (Go SEA)

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