UCSF

ZINC33385621

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 36 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) 3.60 8.8 -42.72 1 9 -1 129 505.528 9
Lo Low (pH 4.5-6) 3.60 7.67 -24.51 2 9 0 126 506.536 9

Activity (Go SEA)

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