UCSF

ZINC12573011

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 18 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) 3.46 8.77 -9.46 0 3 0 30 275.764 3
Mid Mid (pH 6-8) 3.46 9.21 -29.09 1 3 1 31 276.772 3
Lo Low (pH 4.5-6) 3.46 9.05 -34.54 1 3 1 31 276.772 3
Lo Low (pH 4.5-6) 3.46 9.48 -83.16 2 3 2 33 277.78 3

Activity (Go SEA)

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