UCSF

ZINC05275014

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 29 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) 3.58 10.19 -11.08 2 7 0 85 400.364 4
Lo Low (pH 4.5-6) 3.76 10.51 -39.28 3 7 1 90 401.372 4

Activity (Go SEA)

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