UCSF

ZINC04062787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 25 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) 3.51 0.7 -14.16 0 6 0 65 349.419 5
Lo Low (pH 4.5-6) 3.51 0.81 -50.75 1 6 1 66 350.427 5

Activity (Go SEA)

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