UCSF

ZINC33814264

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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 11.92 -49.93 0 7 -1 87 460.554 8
Lo Low (pH 4.5-6) 4.16 10.78 -19.51 1 7 0 84 461.562 8

Activity (Go SEA)

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