UCSF

ZINC04258420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 26 Yes

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) 3.81 9.83 -13.2 1 5 0 60 342.402 5
Lo Low (pH 4.5-6) 3.81 10.64 -76.51 3 5 2 62 344.418 5
Lo Low (pH 4.5-6) 3.81 10.18 -26.59 2 5 1 61 343.41 5

Activity (Go SEA)

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