UCSF

ZINC43698683

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) 1.54 4.25 -35.92 4 4 1 68 307.439 6
Hi High (pH 8-9.5) 1.54 2.11 -8.5 3 4 0 67 306.431 6

Activity (Go SEA)

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