UCSF

ZINC53157366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 14 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) 3.46 7.01 -46.52 2 1 1 17 214.691 4
Hi High (pH 8-9.5) 3.46 5.67 -3.39 1 1 0 12 213.683 4

Activity (Go SEA)

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