UCSF

ZINC33594754

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 32 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) 3.93 10.86 -36.93 0 6 -1 86 444.467 4
Lo Low (pH 4.5-6) 3.93 9.73 -20.54 1 6 0 83 445.475 4

Activity (Go SEA)

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