UCSF

ZINC33580949

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 35 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) 5.83 14.39 -49.21 0 6 -1 90 487.601 6
Lo Low (pH 4.5-6) 5.83 13.1 -17.58 1 6 0 88 488.609 6

Activity (Go SEA)

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