UCSF

ZINC50103573

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 14 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) 0.15 2.43 -33.79 2 3 1 28 201.334 5
Hi High (pH 8-9.5) 0.15 0.26 -2.78 1 3 0 27 200.326 5
Mid Mid (pH 6-8) 0.15 2.51 -34.6 2 3 1 28 201.334 5

Activity (Go SEA)

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