UCSF

ZINC53161301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.43 6.42 -8.11 3 4 0 64 290.75 5
Lo Low (pH 4.5-6) 3.43 6.27 -47.64 4 4 1 66 291.758 5

Activity (Go SEA)

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