UCSF

ZINC16474806

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 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) 3.97 8.3 -16.42 1 6 0 70 484.021 6
Hi High (pH 8-9.5) 3.97 10.63 -79.89 1 6 0 73 484.021 6
Mid Mid (pH 6-8) 3.97 8.35 -48.85 0 6 -1 72 483.013 6

Activity (Go SEA)

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