UCSF

ZINC42747552

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.05 7.66 -37.08 3 3 1 44 275.416 5
Mid Mid (pH 6-8) 2.05 6.7 -41.49 3 3 1 44 275.416 5
Mid Mid (pH 6-8) 2.05 8 -125.19 4 3 2 45 276.424 5

Activity (Go SEA)

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