UCSF

ZINC19884389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) 2.72 2.99 -9.03 2 3 0 45 234.686 3
Hi High (pH 8-9.5) 2.72 3.78 -37.23 1 3 -1 48 233.678 3
Mid Mid (pH 6-8) 2.72 3.43 -34.33 3 3 1 46 235.694 3

Activity (Go SEA)

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