UCSF

ZINC33796042

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 34 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) 4.33 8.5 -46.3 1 7 -1 103 475.477 5
Lo Low (pH 4.5-6) 4.33 7.37 -23.93 2 7 0 100 476.485 5

Activity (Go SEA)

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