UCSF

ZINC21794355

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 5.22 11.14 -39.26 3 6 1 71 467.391 5
Mid Mid (pH 6-8) 5.22 10.97 -37.04 3 6 1 71 467.391 5
Mid Mid (pH 6-8) 5.22 10.69 -14.32 2 6 0 70 466.383 5

Activity (Go SEA)

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