UCSF

ZINC44660168

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 3.10 8.78 -31.64 2 2 1 20 259.417 3
Mid Mid (pH 6-8) 3.10 10.07 -99.98 3 2 2 21 260.425 3
Mid Mid (pH 6-8) 3.10 9.1 -26.94 2 2 1 16 259.417 3

Activity (Go SEA)

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