UCSF

ZINC33808589

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) 4.16 13.03 -53.92 0 7 -1 92 499.587 11
Lo Low (pH 4.5-6) 4.16 11.73 -20.11 1 7 0 89 500.595 11

Activity (Go SEA)

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