UCSF

ZINC04678872

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2005 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) 3.23 8.19 -28.03 2 5 0 76 373.408 2
Hi High (pH 8-9.5) 3.23 9.09 -86.22 1 5 -1 78 372.4 2

Activity (Go SEA)

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