UCSF

ZINC04809716

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 28 No

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) 3.12 8.48 -21.47 2 9 0 126 399.432 8
Hi High (pH 8-9.5) 3.12 8.33 -43.83 1 9 -1 124 398.424 8

Activity (Go SEA)

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