UCSF

ZINC33814078

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 5.42 14.94 -56.05 0 7 -1 91 511.558 4
Lo Low (pH 4.5-6) 5.42 13.63 -21.42 1 7 0 88 512.566 4

Activity (Go SEA)

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