UCSF

ZINC54040948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 22 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) 1.26 0.81 -41.73 1 7 -1 104 325.366 6
Lo Low (pH 4.5-6) 1.26 0.64 -11.22 2 7 0 102 326.374 6

Activity (Go SEA)

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