UCSF

ZINC40864782

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 15 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) 2.00 4.16 -5.83 1 3 0 36 226.707 2
Lo Low (pH 4.5-6) 2.00 4.63 -28.68 2 3 1 38 227.715 2

Activity (Go SEA)

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