UCSF

ZINC33767609

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 4.50 13.06 -56.39 0 7 -1 88 498.555 11
Lo Low (pH 4.5-6) 4.50 11.76 -19.89 1 7 0 85 499.563 11

Activity (Go SEA)

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