UCSF

ZINC44660189

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) 3.43 9.05 -28.74 2 2 1 20 273.444 3
Mid Mid (pH 6-8) 3.43 9.36 -26.93 2 2 1 16 273.444 3
Mid Mid (pH 6-8) 3.43 10.27 -96.07 3 2 2 21 274.452 3

Activity (Go SEA)

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