UCSF

ZINC43897305

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.53 8.02 -89.68 3 3 2 24 277.456 5
Hi High (pH 8-9.5) 2.53 6.42 -37.72 2 3 1 20 276.448 5
Hi High (pH 8-9.5) 2.53 7.32 -35.31 2 3 1 20 276.448 5
Mid Mid (pH 6-8) 2.53 9.03 -105.07 3 3 2 21 277.456 5
Lo Low (pH 4.5-6) 2.53 9.89 -210.45 4 3 3 25 278.464 5

Activity (Go SEA)

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