UCSF

ZINC31911470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.56 6.31 -52.2 3 3 1 45 232.351 4
Hi High (pH 8-9.5) 1.56 5.99 -6.73 2 3 0 43 231.343 4
Mid Mid (pH 6-8) 1.56 6.77 -106.41 4 3 2 46 233.359 4
Mid Mid (pH 6-8) 1.56 6.9 -25.18 3 3 1 45 232.351 4

Activity (Go SEA)

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