UCSF

ZINC20031674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 36 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) 5.07 8.82 -11.31 2 5 0 52 483.656 8
Mid Mid (pH 6-8) 5.07 11.17 -49.33 3 5 1 53 484.664 8
Mid Mid (pH 6-8) 5.07 11.22 -41.62 3 5 1 53 484.664 8

Activity (Go SEA)

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