UCSF

ZINC62951497

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.39 7.58 -29.63 3 3 1 43 276.448 5
Mid Mid (pH 6-8) 2.39 5.82 -39.35 3 3 1 44 276.448 5
Lo Low (pH 4.5-6) 2.39 5.74 -100.45 4 3 2 45 277.456 5

Activity (Go SEA)

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