UCSF

ZINC36753940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) -0.40 2.69 -49.45 3 6 1 77 284.38 4
Lo Low (pH 4.5-6) -0.40 4.89 -112.95 4 6 2 79 285.388 4

Activity (Go SEA)

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