UCSF

ZINC13749150

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 34 No

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) 6.15 13.07 -39.07 0 5 -1 80 507.422 5
Mid Mid (pH 6-8) 5.96 14.29 -8.89 1 5 0 73 508.43 5
Mid Mid (pH 6-8) 5.96 13.82 -10.31 1 5 0 73 508.43 5

Activity (Go SEA)

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