UCSF

ZINC43897523

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) 3.32 7.23 -29.37 2 3 1 20 282.496 5
Hi High (pH 8-9.5) 3.32 7.72 -113.82 3 3 2 24 283.504 5
Mid Mid (pH 6-8) 3.32 8.48 -87.31 3 3 2 24 283.504 5
Lo Low (pH 4.5-6) 3.32 10.17 -202.61 4 3 3 25 284.512 5

Activity (Go SEA)

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