UCSF

ZINC20898984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 No

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) 0.12 3.96 -51.11 1 10 -1 118 433.466 4
Lo Low (pH 4.5-6) -0.34 5.01 -20.29 2 10 0 115 434.474 4

Activity (Go SEA)

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