UCSF

ZINC31911353

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) 0.99 5.93 -53.1 3 3 1 45 232.351 4
Hi High (pH 8-9.5) 0.99 5.7 -8.55 2 3 0 43 231.343 4
Mid Mid (pH 6-8) 0.99 6.38 -106.46 4 3 2 46 233.359 4
Mid Mid (pH 6-8) 0.99 6.29 -26 3 3 1 45 232.351 4

Activity (Go SEA)

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