UCSF

ZINC21800239

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 33 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) 3.60 10.96 -61.27 2 7 1 70 443.527 6
Mid Mid (pH 6-8) 3.60 8.58 -19.79 1 7 0 69 442.519 6
Mid Mid (pH 6-8) 3.60 9.13 -37.77 2 7 1 70 443.527 6

Activity (Go SEA)

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