UCSF

ZINC19791738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 27 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) 3.89 11.44 -44.26 1 5 1 47 364.469 5
Hi High (pH 8-9.5) 3.89 9.08 -8.08 0 5 0 46 363.461 5
Mid Mid (pH 6-8) 3.89 9.41 -34 1 5 1 47 364.469 5

Activity (Go SEA)

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