UCSF

ZINC37801713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.37 4.99 -38.26 2 4 1 50 246.334 4
Lo Low (pH 4.5-6) 0.37 5.45 -83.01 3 4 2 51 247.342 4

Activity (Go SEA)

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