UCSF

ZINC37323660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 3.08 6.85 -12.87 1 3 0 42 271.389 2
Mid Mid (pH 6-8) 3.99 6.86 -9.42 2 3 0 44 271.389 2
Lo Low (pH 4.5-6) 3.99 6.92 -20.74 3 3 1 45 272.397 2

Activity (Go SEA)

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