UCSF

ZINC53156659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 2.74 4.57 -10.49 2 3 0 41 270.735 6
Lo Low (pH 4.5-6) 2.74 5.93 -54.47 3 3 1 46 271.743 6

Activity (Go SEA)

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