UCSF

ZINC37111527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.94 7.2 -118.1 4 2 2 32 234.387 4
Hi High (pH 8-9.5) 0.94 5.08 -1.87 2 2 0 29 232.371 4
Mid Mid (pH 6-8) 0.94 6.41 -31.57 3 2 1 30 233.379 4
Mid Mid (pH 6-8) 0.94 5.14 -43.22 3 2 1 31 233.379 4

Activity (Go SEA)

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