UCSF

ZINC16995477

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 22 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) 2.58 5.75 -58.85 1 4 -1 69 292.314 3
Mid Mid (pH 6-8) 2.58 5.75 -10.8 2 4 0 66 293.322 3
Mid Mid (pH 6-8) 2.00 6.04 -10.41 1 4 0 63 293.322 3

Activity (Go SEA)

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