UCSF

ZINC04168941

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 21 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) 3.59 7.76 -14.6 0 4 0 62 286.351 5
Lo Low (pH 4.5-6) 3.05 8.12 -7.83 1 4 0 55 287.359 5
Lo Low (pH 4.5-6) 3.59 6.28 -25.89 1 4 0 59 287.359 5

Activity (Go SEA)

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