UCSF

ZINC62952572

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) 2.19 5.59 -115.82 4 2 2 32 214.397 4
Hi High (pH 8-9.5) 2.19 3.73 -39.41 3 2 1 31 213.389 4
Mid Mid (pH 6-8) 2.19 5.1 -26.51 3 2 1 30 213.389 4

Activity (Go SEA)

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