UCSF

ZINC20058623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 27 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) 4.01 5.9 -10.46 0 6 0 56 430.302 4
Ref Reference (pH 7) 4.01 5.59 -11.4 0 6 0 56 430.302 4
Lo Low (pH 4.5-6) 4.01 7.91 -47.98 1 6 1 57 431.31 4
Lo Low (pH 4.5-6) 4.01 8.22 -46.42 1 6 1 57 431.31 4

Activity (Go SEA)

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