UCSF

ZINC25560859

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 23 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) 3.45 10 -41.69 1 3 1 25 309.433 5
Mid Mid (pH 6-8) 3.45 9.87 -44.87 1 3 1 25 309.433 5
Mid Mid (pH 6-8) 3.45 7.53 -8.01 0 3 0 24 308.425 5

Activity (Go SEA)

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