UCSF

ZINC08764238

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 34 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) 4.48 14.3 -19.17 0 6 0 77 452.51 6
Lo Low (pH 4.5-6) 4.48 14.58 -45.78 1 6 1 78 453.518 6

Activity (Go SEA)

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