UCSF

ZINC33671798

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 39 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) 6.66 17.35 -43.2 0 5 -1 70 516.617 9
Lo Low (pH 4.5-6) 6.66 16.22 -17.68 1 5 0 67 517.625 9

Activity (Go SEA)

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