UCSF

ZINC37788390

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.50 8.15 -49.04 1 4 -1 69 276.337 6
Lo Low (pH 4.5-6) 2.50 6.15 -9.21 2 4 0 66 277.345 6

Activity (Go SEA)

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