UCSF

ZINC20879004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 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) 5.72 12.35 -59.63 1 5 -1 71 404.486 9
Lo Low (pH 4.5-6) 5.72 11.24 -12.98 2 5 0 68 405.494 9

Activity (Go SEA)

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