UCSF

ZINC34684004

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.79 9.57 -47.4 2 7 1 81 497.637 8
Hi High (pH 8-9.5) 4.79 10.47 -43.41 1 7 0 83 496.629 8

Activity (Go SEA)

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