UCSF

ZINC37842321

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.59 2.7 -13.07 1 7 0 79 280.328 4
Lo Low (pH 4.5-6) -0.59 4.83 -49.49 2 7 1 80 281.336 4

Activity (Go SEA)

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