UCSF

ZINC19499922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 22 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) 2.20 4.87 -40.67 2 5 1 46 309.43 6
Mid Mid (pH 6-8) 2.20 5.19 -44.06 2 5 1 46 309.43 6
Mid Mid (pH 6-8) 2.20 2.87 -7.75 1 5 0 45 308.422 6

Activity (Go SEA)

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