UCSF

ZINC03869607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 19 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) 2.77 1.93 -12.94 3 4 0 78 256.257 3
Hi High (pH 8-9.5) 2.77 2.7 -48.54 2 4 -1 81 255.249 3

Activity (Go SEA)

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