UCSF

ZINC04140298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 26 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) 2.85 6.01 -46.44 1 8 -1 124 354.342 5
Lo Low (pH 4.5-6) 2.85 5.24 -13.3 2 8 0 121 355.35 5

Activity (Go SEA)

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