UCSF

ZINC41152407

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 4.96 10.92 -22.77 3 4 1 51 285.415 6
Hi High (pH 8-9.5) 4.96 10.55 -7.97 2 4 0 50 284.407 6

Activity (Go SEA)

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