UCSF

ZINC53133918

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 2.47 6.61 -7.31 0 3 0 39 245.713 2
Lo Low (pH 4.5-6) 2.47 7.07 -33.74 1 3 1 40 246.721 2

Activity (Go SEA)

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