UCSF

ZINC19809160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 24 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) 3.21 8.28 -35.26 1 4 1 26 329.464 9
Hi High (pH 8-9.5) 3.21 6.04 -5.41 0 4 0 25 328.456 9
Mid Mid (pH 6-8) 3.21 10.67 -111.87 2 4 2 27 330.472 9
Mid Mid (pH 6-8) 3.21 8.48 -37.5 1 4 1 26 329.464 9

Activity (Go SEA)

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