UCSF

ZINC37451186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) -1.98 3.56 -56.05 2 7 -1 107 276.272 6
Lo Low (pH 4.5-6) -1.98 4.05 -63.93 3 7 0 109 277.28 6

Activity (Go SEA)

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