UCSF

ZINC44658174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) 2.58 6.47 -41.16 2 3 1 29 277.432 9
Hi High (pH 8-9.5) 2.58 5.25 -3.46 1 3 0 24 276.424 9
Mid Mid (pH 6-8) 2.58 7.74 -38.06 2 3 1 26 277.432 9

Activity (Go SEA)

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