UCSF

ZINC33541407

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 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) 4.89 14.61 -60.98 0 6 -1 79 482.556 10
Lo Low (pH 4.5-6) 4.89 13.32 -21.4 1 6 0 76 483.564 10

Activity (Go SEA)

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